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-pymatgen.analysis.thermochemistry,ThermoData,fH,P2O5,P2O5,hex,-15.598225709940916,298,,"O. Kubaschewski, C. Alcock, P. 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-pymatgen.analysis.thermochemistry,ThermoData,fH,KO2,KO2,tetrag,-2.948634694005442,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",2.5,True,K,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-1.982179, 1.982179, 3.387667], [1.982179, -1.982179, 3.387667], [1.982179, 1.982179, -3.387667]], ""a"": 4.397084815985586, ""b"": 4.397084815985586, ""c"": 4.397084815985586, ""alpha"": 126.41073804255504, ""beta"": 126.41073804255504, ""gamma"": 79.21410740931198, ""volume"": 53.241029712392354}, ""sites"": [{""species"": [{""element"": ""K"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""K"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.599944, 0.599944, 0.0], ""xyz"": [-6.170919688486265e-17, 6.170919688486265e-17, 4.064820981296], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.400056, 0.400056, 0.0], ""xyz"": [-5.030236980374525e-17, 5.030236980374525e-17, 2.7105130187040003], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4/mmm', 'number': 139, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-I 4 2'}","[38245, 641278, 180563, 38138]","['Potassium peroxide - phase II, alpha', 'Potassium oxide (1/2)', 'Potassium peroxide - II', 'Potassium peroxide - alpha']",2.0,2,12.0,12,0.934,2.6,9.082634694005442,0.7568862245004535
-pymatgen.analysis.thermochemistry,ThermoData,fH,K2O,K2O,cubic,-3.764302709535243,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",2.9,True,K,2.0,1.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 3.243877, 3.243877], [3.243877, 0.0, 3.243877], [3.243877, 3.243877, 0.0]], ""a"": 4.587534848070148, ""b"": 4.587534848070148, ""c"": 4.587534848070148, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 68.26893549289912}, ""sites"": [{""species"": [{""element"": ""K"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.25], ""xyz"": [1.6219385, 1.6219385, 1.6219385], ""label"": ""K"", ""properties"": {}}, {""species"": [{""element"": ""K"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [4.8658155, 4.8658155, 4.8658155], ""label"": ""K"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[180571, 60438, 44674, 641282]","['Dipotassium oxide', 'Potassium oxide']",1.0,1,8.0,8,0.934,2.6,8.232302709535244,1.0290378386919055
-pymatgen.analysis.thermochemistry,ThermoData,fH,CaO,CaO,cubic,-6.580274752984377,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Ca,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.419633, 2.419633], [2.419633, 0.0, 2.419633], [2.419633, 2.419633, 0.0]], ""a"": 3.4218778045654994, ""b"": 3.4218778045654994, ""c"": 3.4218778045654994, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 28.332082162785422}, ""sites"": [{""species"": [{""element"": ""Ca"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Ca"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.419633, 2.419633, 2.419633], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[60199, 52783, 60704, 619461, 61550, 180198, 26959, 90486, 261847, 51409, 75786, 163628, 75785, 28905]","['Calcium oxide', 'Calcium oxide (1/1)', 'Lime']",1.0,1,6.0,6,1.84,2.6,11.020274752984378,1.8367124588307295
-pymatgen.analysis.thermochemistry,ThermoData,fH,Sc2O3,Sc2O3,cubic,-19.77813562942209,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",3.3,True,Sc,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-4.961171, 4.961171, 4.961171], [4.961171, -4.961171, 4.961171], [4.961171, 4.961171, -4.961171]], ""a"": 8.593000237037295, ""b"": 8.593000237037295, ""c"": 8.593000237037295, ""alpha"": 109.47122063449069, ""beta"": 109.47122063449069, ""gamma"": 109.47122063449069, ""volume"": 488.44152730588723}, ""sites"": [{""species"": [{""element"": ""Sc"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.5], ""xyz"": [0.0, 4.961171, 0.0], ""label"": ""Sc"", ""properties"": {}}, {""species"": [{""element"": ""Sc"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.0], ""xyz"": [0.0, 0.0, 4.961171], ""label"": ""Sc"", ""properties"": {}}, {""species"": [{""element"": ""Sc"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.5], ""xyz"": [4.961171, 0.0, 0.0], ""label"": ""Sc"", ""properties"": {}}, {""species"": [{""element"": 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-pymatgen.analysis.thermochemistry,ThermoData,fH,Co3O4,Co3O4,cubic,-9.431485312987531,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",4.6,True,Co,3.0,2.6666666666666665,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[1.710575, 4.84805, 2.972092], [0.000421, 0.000299, 5.944887], [5.140986, -0.003466, 2.972084]], ""a"": 5.938264602523956, ""b"": 5.944887022426162, ""c"": 5.938268465504739, ""alpha"": 59.96307505410146, ""beta"": 60.03931461944275, ""gamma"": 59.962952340874715, ""volume"": 148.19504749097518}, ""sites"": [{""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.000865, 0.999134, 0.000869], ""xyz"": [0.006367799623, 0.004489292361999999, 5.944892328433999], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.624726, 0.623301, 0.128671], ""xyz"": [1.7303988967769999, 3.028443277613, 5.944618179143], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.128667, 0.623308, 0.624717], ""xyz"": [3.432018317155, 0.62180514932, 5.944617187787999], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.250766, 0.249233, 0.250766], ""xyz"": [1.718243472819, 1.2149314720109998, 2.972259260487], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.62677, 0.121335, 0.626776], ""xyz"": [4.294434815921, 3.036476172049, 4.446971888169], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.626771, 0.625119, 0.626775], ""xyz"": [4.294643478574, 3.036631654981, 7.441910840584999], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.384261, 0.846276, 0.384304], ""xyz"": [2.633365026015, 1.86183757991, 7.31525800436], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.403594, 0.865926, 0.864558], ""xyz"": [5.135422935584, 1.953906245546, 8.916889717882], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.382156, 0.386193, 0.845456], ""xyz"": [5.000346546568999, 1.8498965170109998, 5.944442785847], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.845442, 0.38623, 0.382094], ""xyz"": [3.410694456664, 4.097536233066, 5.944440574570001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.384255, 0.385171, 0.384299], ""xyz"": [2.63313493243, 1.861670638545, 4.574008191252999], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.86451, 0.865959, 0.403581], ""xyz"": [3.553978032855, 4.190047815494999, 8.916908289357], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.863607, 0.404616, 0.863564], ""xyz"": [5.917005321465, 4.183937783709999, 7.538700601612], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.863612, 0.868202, 0.86357], ""xyz"": [5.917239889962, 4.184100615377999, 10.294699679358], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fd-3m', 'number': 227, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': 'F 4d 2 3 -1d'}","[27497, 69366, 69375, 624571, 624573, 69378, 63165, 69377, 69369, 69365, 69368, 69376, 69374, 290720, 69370, 69373, 63164, 24210, 69367, 150805, 28158, 69372, 69371, 36256, 27498, 9362, 56123]","['Cobalt dicobaltate(III)', 'Cobalt oxide (3/4)', 'Cobalt dicobalt(III) oxide', 'Tricobalt tetraoxide', 'Cobalt(II) dicobalt(III) tetraoxide']",4.0,8,16.0,32,4.39,2.6,33.001485312987526,2.0625928320617204
-pymatgen.analysis.thermochemistry,ThermoData,fH,CoO,CoO,cubic,-2.4635868779089405,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.6,True,Co,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-1.751293, 2.465328, -0.013723], [2.620097, 0.003635, -1.485324], [-3.555239, -2.486024, -3.072763]], ""a"": 3.024079635221599, ""b"": 3.0118281636922783, ""c"": 5.316193387177144, ""alpha"": 107.29495122854892, ""beta"": 89.50258332871152, ""gamma"": 120.03784374291284, ""volume"": 39.442322520670935}, ""sites"": [{""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.5], ""xyz"": [-2.653266, -0.010348000000000024, -1.5432430000000001], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""Co"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Co"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.247062, 0.498565, 0.74966], ""xyz"": [-1.7916097591009998, -1.252771601729, -3.047448502466], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.752938, 0.501435, 0.25034], ""xyz"": [-0.8948252408990002, 1.235710601729, -1.524361497534], ""label"": ""O"", ""properties"": {}}]}",cobalt(ii) oxide,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P1', 'number': 1, 'point_group': '1', 'crystal_system': 'triclinic', 'hall': 'P 1'}",[],['Amorphous'],1.0,2,6.0,12,4.39,2.6,9.45358687790894,1.5755978129848234
-pymatgen.analysis.thermochemistry,ThermoData,fH,NiO,NiO,cubic,-2.484315417058364,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.3,True,Ni,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[2.109361, -5.2e-05, -2.109347], [5.4e-05, -2.109368, 2.109347], [-2.105111, -2.105116, -4.214497]], ""a"": 2.983077035115587, ""b"": 2.983081984919121, ""c"": 5.159940954970899, ""alpha"": 106.80216282683215, ""beta"": 73.19772652859302, ""gamma"": 119.99806322678447, ""volume"": 37.485438869993075}, ""sites"": [{""species"": [{""element"": ""Ni"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Ni"", ""properties"": {}}, {""species"": [{""element"": ""Ni"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [0.0021519999999999317, -2.1072680000000004, -2.1072485], ""label"": ""Ni"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.250001, 0.749999, 0.249993], ""xyz"": [0.0011198450839999333, -2.108301154872, 0.0010745327850002287], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.749999, 0.250001, 0.750007], ""xyz"": [0.0031841549159998777, -2.106234845128, -4.215571532785], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': '-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[646099, 28910, 9866, 53931, 92128, 24018, 92132, 92131, 166115, 92129, 24014, 76640, 246910, 53930, 166118, 92127, 61324, 92130, 76669, 61318, 166122, 43740, 646098, 76959, 646096, 182948, 76670, 61544, 28834, 184626, 184918, 92133]","['Bunsenite', 'Nickel oxide', 'Nickel(II) oxide']",1.0,2,6.0,12,4.44,2.6,9.524315417058364,1.5873859028430608
-pymatgen.analysis.thermochemistry,ThermoData,fH,CuO,CuO,monocl,-1.6779752441458036,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.7,True,Cu,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[2.030431, 2.124735, 0.0], [-2.030431, 2.124735, 0.0], [0.0, 0.225338, 5.155799]], ""a"": 2.9389026635780233, ""b"": 2.9389026635780233, ""c"": 5.160720932451686, ""alpha"": 88.1910006148403, ""beta"": 88.1910006148403, ""gamma"": 87.399721810397, ""volume"": 44.485551705434986}, ""sites"": [{""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.5], ""xyz"": [-1.0152155, 1.1750364999999998, 2.5778995], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.0], ""xyz"": [1.0152155, 1.0623675, 0.0], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.486128, 0.513872, 0.75], ""xyz"": [-0.05633227766400002, 2.2937385, 3.86684925], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.513872, 0.486128, 0.25], ""xyz"": [0.05633227766400002, 2.1810695, 1.28894975], ""label"": ""O"", ""properties"": {}}]}",monocl,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'C2/c', 'number': 15, 'point_group': '2/m', 'crystal_system': 'monoclinic', 'hall': '-C 2yc'}","[291393, 291390, 291387, 67850, 16025, 653723, 31059, 43180, 69094, 628618, 92368, 43179, 628614, 43181, 87125, 87123, 26715, 92366, 628615, 92367, 92365, 160630, 87122, 628616, 87124, 628612, 92364]","['Copper oxide', 'High pressure experimental phase', 'Tenorite', 'Copper oxide (1/1)']",1.0,2,4.0,8,3.49,2.6,7.767975244145804,1.941993811036451
-pymatgen.analysis.thermochemistry,ThermoData,fH,Cu2O,Cu2O,cubic,-1.795091490340044,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",2.1,True,Cu,2.0,1.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.287813, 0.0, 0.0], [0.0, 4.287813, 0.0], [0.0, 0.0, 4.287813]], ""a"": 4.287813, ""b"": 4.287813, ""c"": 4.287813, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 78.83290124625067}, ""sites"": [{""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.75], ""xyz"": [1.07195325, 1.07195325, 3.21585975], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.75, 0.25, 0.25], ""xyz"": [3.21585975, 1.07195325, 1.07195325], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.25, 0.75, 0.25], ""xyz"": [1.07195325, 3.21585975, 1.07195325], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""Cu"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [3.21585975, 3.21585975, 3.21585975], ""label"": ""Cu"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.1439065, 2.1439065, 2.1439065], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pn-3m', 'number': 224, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': 'P 4n 2 3 -1n'}","[167446, 173982, 31057, 52043, 38233, 246903, 173983, 628621, 172174, 190598, 63281, 190597, 53322, 261853, 628619, 180846, 26963]","['High pressure experimental phase', 'Dicopper oxide', 'Cuprite']",1.0,2,4.0,8,3.49,2.6,11.375091490340044,2.843772872585011
-pymatgen.analysis.thermochemistry,ThermoData,fH,ZnO,ZnO,hex,-3.6326764859364062,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.6,True,Zn,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[1.644551, -2.848447, 0.0], [1.644551, 2.848447, 0.0], [0.0, 0.0, 5.306821]], ""a"": 3.28910296333362, ""b"": 3.28910296333362, ""c"": 5.306821, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 120.00001937720918, ""volume"": 49.71871824836267}, ""sites"": [{""species"": [{""element"": ""Zn"", ""occu"": 1}], ""abc"": [0.666667, 0.333333, 0.500548], ""xyz"": [1.644551, -0.949484232298, 2.656318637908], ""label"": ""Zn"", ""properties"": {}}, {""species"": [{""element"": ""Zn"", ""occu"": 1}], ""abc"": [0.333333, 0.666667, 0.000548], ""xyz"": [1.644551, 0.9494842322980002, 0.002908137908], ""label"": ""Zn"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.666667, 0.333333, 0.879762], ""xyz"": [1.644551, -0.949484232298, 4.668739456602], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.333333, 0.666667, 0.379762], ""xyz"": [1.644551, 0.9494842322980002, 2.015328956602], ""label"": ""O"", ""properties"": {}}]}",hex,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P6_3mc', 'number': 186, 'point_group': '6mm', 'crystal_system': 'hexagonal', 'hall': 'P 6c -2c'}","[193696, 195802, 31060, 166353, 166356, 154488, 165014, 165011, 57478, 181473, 94004, 94002, 185828, 34477, 656331, 65119, 164209, 182355, 184793, 154487, 162843, 155780, 647681, 165009, 189104, 184674, 182356, 161836, 65120, 165010, 164690, 185829, 65121, 169463, 165013, 165012, 67848, 67454, 67849, 647667, 236619, 165002, 166354, 166355, 26170, 184079, 154489, 157724, 166243, 154486, 82029, 181731, 163380, 191642, 82028, 154490, 57450, 76641, 157132, 29272, 236754, 185827, 41488, 52362, 167690, 31052, 65122, 180052, 157133]","['Zinc oxide (1/1)', 'zinc oxide - epitaxial layer', 'Zincite', 'High pressure experimental phase', 'Wurtzite 2H', 'Zinc oxide - wurtzite-type', 'Zinc sulfide', 'Zinc oxide']",1.0,2,4.0,8,1.35,2.6,7.582676485936407,1.8956691214841017
-pymatgen.analysis.thermochemistry,ThermoData,fH,Ga2O3,Ga2O3,monocl,-11.287725993818372,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",4.6,True,Ga,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[1.541484, 6.226223, 0.0], [-1.541484, 6.226223, 0.0], [0.0, 1.390063, 5.70937]], ""a"": 6.4142049989055545, ""b"": 6.4142049989055545, ""c"": 5.876153583839431, ""alpha"": 76.72488019568868, ""beta"": 76.72488019568868, ""gamma"": 27.81126515815204, ""volume"": 109.59276319577343}, ""sites"": [{""species"": [{""element"": ""Ga"", ""occu"": 1}], ""abc"": [0.65841, 0.65841, 0.685918], ""xyz"": [-7.040255084689307e-17, 9.152284203694, 3.91615965166], ""label"": ""Ga"", ""properties"": {}}, {""species"": [{""element"": ""Ga"", ""occu"": 1}], ""abc"": [0.34159, 0.34159, 0.314082], ""xyz"": [-1.5167000597671177e-17, 4.690224796306, 1.7932103483399997], ""label"": ""Ga"", ""properties"": {}}, {""species"": [{""element"": ""Ga"", ""occu"": 1}], ""abc"": [0.089878, 0.089878, 0.205239], ""xyz"": [-1.042089299474469e-17, 1.404496081645, 1.17178538943], ""label"": ""Ga"", ""properties"": {}}, {""species"": [{""element"": ""Ga"", ""occu"": 1}], ""abc"": [0.910122, 0.910122, 0.794761], ""xyz"": [-5.145344599100099e-17, 12.438012918355, 4.53758461057], ""label"": ""Ga"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.495897, 0.495897, 0.743509], ""xyz"": [5.343862450502002e-17, 7.208654965129, 4.24496797933], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.504103, 0.504103, 0.256491], ""xyz"": [3.2130926939544227e-17, 6.633854034871, 1.4644020206700001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.173598, 0.173598, 0.435706], ""xyz"": [-1.3445026709746346e-18, 2.767378510186, 2.48760676522], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.826402, 0.826402, 0.564294], ""xyz"": [9.964042962451458e-17, 11.075130489814, 3.2217632347799996], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.836497, 0.836497, 0.108953], ""xyz"": [7.325397351110041e-17, 10.567885255701, 0.62205298961], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.163503, 0.163503, 0.891047], ""xyz"": [7.709928738108828e-18, 3.2746237442990003, 5.08731701039], ""label"": ""O"", ""properties"": {}}]}",monocl,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'C2/m', 'number': 12, 'point_group': '2/m', 'crystal_system': 'monoclinic', 'hall': '-C 2y'}","[34243, 603563, 166198, 83645, 184327]","['Gallium trioxide', 'Gallium oxide']",3.0,6,10.0,20,2.81,2.6,24.70772599381837,2.4707725993818372
-pymatgen.analysis.thermochemistry,ThermoData,fH,GeO2,GeO2,tetrag,-6.011276353332712,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.5,True,Ge,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[5.087272, 0.0, 0.0], [0.0, 5.087272, 0.0], [0.0, 0.0, 7.29155]], ""a"": 5.087272, ""b"": 5.087272, ""c"": 7.29155, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 188.7077668918864}, ""sites"": [{""species"": [{""element"": ""Ge"", ""occu"": 1}], ""abc"": [0.681211, 0.681211, 0.5], ""xyz"": [3.4655056463919998, 3.4655056463919998, 3.645775], ""label"": ""Ge"", ""properties"": {}}, {""species"": [{""element"": ""Ge"", ""occu"": 1}], ""abc"": [0.818789, 0.181211, 0.75], ""xyz"": [4.165402353607999, 0.921869646392, 5.4686625], ""label"": ""Ge"", ""properties"": {}}, {""species"": [{""element"": ""Ge"", ""occu"": 1}], ""abc"": [0.181211, 0.818789, 0.25], ""xyz"": [0.921869646392, 4.165402353607999, 1.8228875], ""label"": ""Ge"", ""properties"": {}}, {""species"": [{""element"": ""Ge"", ""occu"": 1}], ""abc"": [0.318789, 0.318789, 0.0], ""xyz"": [1.6217663536079998, 1.6217663536079998, 0.0], ""label"": ""Ge"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.84332, 0.772049, 0.295871], ""xyz"": [4.290198223039999, 3.9276232603279997, 2.15735819005], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.15668, 0.227951, 0.795871], ""xyz"": [0.79707377696, 1.1596487396719999, 5.80313319005], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.772049, 0.84332, 0.704129], ""xyz"": [3.9276232603279997, 4.290198223039999, 5.13419180995], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.272049, 0.65668, 0.045871], ""xyz"": [1.383987260328, 3.34070977696, 0.33447069005], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.227951, 0.15668, 0.204129], ""xyz"": [1.1596487396719999, 0.79707377696, 1.4884168099500001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.34332, 0.727951, 0.454129], ""xyz"": [1.74656222304, 3.7032847396719997, 3.31130430995], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.65668, 0.272049, 0.954129], ""xyz"": [3.34070977696, 1.383987260328, 6.95707930995], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.727951, 0.34332, 0.545871], ""xyz"": [3.7032847396719997, 1.74656222304, 3.98024569005], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4_12_12', 'number': 92, 'point_group': '422', 'crystal_system': 'tetragonal', 'hall': 'P 4abw 2nw'}",[23783],['Germanium oxide'],2.0,8,4.0,16,3.85,2.6,15.061276353332712,3.765319088333178
-pymatgen.analysis.thermochemistry,ThermoData,fH,As2O5,As2O5,cryst,-9.536164435692118,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",5.0,True,As,2.0,5.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.715916, 0.0, 0.0], [0.0, 8.690933, 0.0], [0.0, 0.0, 8.815634]], ""a"": 4.715916, ""b"": 8.690933, ""c"": 8.815634, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 361.3150184987042}, ""sites"": [{""species"": [{""element"": ""As"", ""occu"": 1}], ""abc"": [0.880964, 0.032899, 0.715751], ""xyz"": [4.154552223024, 0.28592300476699994, 6.3097988511339995], ""label"": ""As"", ""properties"": {}}, {""species"": [{""element"": ""As"", ""occu"": 1}], ""abc"": [0.380964, 0.467101, 0.284249], ""xyz"": [1.7965942230240002, 4.059543495232999, 2.505835148866], ""label"": ""As"", ""properties"": {}}, {""species"": [{""element"": ""As"", ""occu"": 1}], ""abc"": [0.119036, 0.532899, 0.784249], ""xyz"": [0.561363776976, 4.631389504767, 6.913652148865999], ""label"": ""As"", 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-pymatgen.analysis.thermochemistry,ThermoData,fH,SrO2,SrO2,tetrag,-6.565764775579781,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",15.1,True,Sr,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-1.786652, 1.786652, 3.41029], [1.786652, -1.786652, 3.41029], [1.786652, 1.786652, -3.41029]], ""a"": 4.2443289955313315, ""b"": 4.2443289955313315, ""c"": 4.2443289955313315, ""alpha"": 130.21079013117492, ""beta"": 130.21079013117492, ""gamma"": 73.07000637194834, ""volume"": 43.54429290000671}, ""sites"": [{""species"": [{""element"": ""Sr"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Sr"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.389346, 0.389346, 0.0], ""xyz"": [-3.4814284262552067e-17, 3.4814284262552067e-17, 2.65556554068], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.610654, 0.610654, 0.0], ""xyz"": [-8.805121129284999e-17, 8.805121129284999e-17, 4.16501445932], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4/mmm', 'number': 139, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-I 4 2'}","[24249, 647474]",['Strontium peroxide'],2.0,2,12.0,12,1.72,2.6,13.485764775579781,1.1238137312983152
-pymatgen.analysis.thermochemistry,ThermoData,fH,SrO,SrO,cubic,-6.135647588229251,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",3.8,True,Sr,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.603076, 2.603076], [2.603076, 0.0, 2.603076], [2.603076, 2.603076, 0.0]], ""a"": 3.681305383087907, ""b"": 3.681305383087907, ""c"": 3.681305383087907, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 35.27691022191445}, ""sites"": [{""species"": [{""element"": ""Sr"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.603076, 2.603076, 2.603076], ""label"": ""Sr"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[181061, 181274, 180194, 28904, 248393, 109461, 163625, 105548, 249178, 52276, 187678, 26960]","['Strontium oxide (1/1)', 'Strontium oxide']",1.0,1,6.0,6,1.72,2.6,10.455647588229251,1.742607931371542
-pymatgen.analysis.thermochemistry,ThermoData,fH,Y2O3,Y2O3,cubic,-19.743933539825544,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",5.0,True,Y,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-5.351945, 5.351945, 5.351945], [5.351945, -5.351945, 5.351945], [5.351945, 5.351945, -5.351945]], ""a"": 9.269840659314214, ""b"": 9.269840659314214, ""c"": 9.269840659314214, ""alpha"": 109.47122063449069, ""beta"": 109.47122063449069, ""gamma"": 109.47122063449069, ""volume"": 613.1897920496368}, ""sites"": [{""species"": [{""element"": ""Y"", ""occu"": 1}], ""abc"": [0.717318, 0.75, 0.467318], ""xyz"": [2.6759725, 2.32614796702, 5.351945], ""label"": ""Y"", ""properties"": {}}, {""species"": [{""element"": ""Y"", ""occu"": 1}], ""abc"": [0.25, 0.032682, 0.782682], ""xyz"": [3.02579703298, 5.351945, -2.6759725], ""label"": ""Y"", ""properties"": {}}, {""species"": [{""element"": ""Y"", ""occu"": 1}], ""abc"": [0.467318, 0.717318, 0.75], ""xyz"": [5.351945, 2.6759725000000003, 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0.770746], ""xyz"": [1.5087347032800003, 6.741245698659999, 1.0525027998099994], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Ia-3', 'number': 206, 'point_group': 'm-3', 'crystal_system': 'cubic', 'hall': '-I 2b 2c 3'}","[193377, 237970, 193375, 193376, 193374, 187274, 41936, 160890, 290965, 86814, 81861, 66242, 85355, 82420, 290963, 16394, 86817, 78581, 186675, 153500, 193042, 181871, 155173, 184530, 185295, 23811, 290961, 26190, 27772, 647653, 181825, 80033, 86815, 77081, 86813, 151761, 66730, 33648, 66243, 41267, 151760, 290960, 192862, 290964]","['Yttrium(III) oxide', 'High pressure experimental phase', 'Yttrium oxide', 'Diyttrium trioxide', 'Diyttrium trioxide - C-type', 'Yttrium oxide - C', 'Yttria']",3.0,24,12.0,96,4.37,2.6,36.28393353982554,3.023661128318795
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-pymatgen.analysis.thermochemistry,ThermoData,fH,MoO3,MoO3,orth,-7.723453687075064,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Mo,1.0,6.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[3.761025, 0.0, 0.0], [0.0, 3.969304, 0.0], [0.0, 0.0, 14.425446]], ""a"": 3.761025, ""b"": 3.969304, ""c"": 14.425446, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 215.35245717105818}, ""sites"": [{""species"": [{""element"": ""Mo"", ""occu"": 1}], ""abc"": [0.25, 0.924115, 0.602487], ""xyz"": [0.94025625, 3.6680933659600004, 8.691143684202], ""label"": ""Mo"", ""properties"": {}}, {""species"": [{""element"": ""Mo"", ""occu"": 1}], ""abc"": [0.75, 0.424115, 0.897513], ""xyz"": [2.82076875, 1.68344136596, 12.947025315798001], ""label"": ""Mo"", ""properties"": {}}, {""species"": [{""element"": ""Mo"", ""occu"": 1}], ""abc"": [0.25, 0.575885, 0.102487], ""xyz"": [0.94025625, 2.28586263404, 1.478420684202], ""label"": ""Mo"", ""properties"": {}}, {""species"": [{""element"": ""Mo"", ""occu"": 1}], ""abc"": [0.75, 0.075885, 0.397513], ""xyz"": [2.82076875, 0.30121063404, 5.734302315798001], ""label"": ""Mo"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.97828, 0.911631], ""xyz"": [2.82076875, 3.8830907171200004, 13.150683762426], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.47828, 0.588369], ""xyz"": [0.94025625, 1.8984387171200001, 8.487485237574], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.02172, 0.088369], ""xyz"": [0.94025625, 0.08621328288, 1.2747622375740002], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.52172, 0.411631], ""xyz"": [2.82076875, 2.07086528288, 5.937960762426001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.463012, 0.780203], ""xyz"": [2.82076875, 1.837835383648, 11.254776245538], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.963012, 0.719797], ""xyz"": [0.94025625, 3.8224873836480002, 10.383392754462001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.036988, 0.280203], ""xyz"": [2.82076875, 0.146816616352, 4.042053245538], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.536988, 0.219797], ""xyz"": [0.94025625, 2.131468616352, 3.170669754462], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.496039, 0.935016], ""xyz"": [0.94025625, 1.9689295868560002, 13.488022817136], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.003961, 0.435016], ""xyz"": [0.94025625, 0.015722413144, 6.275299817136], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.503961, 0.064984], ""xyz"": [2.82076875, 2.000374413144, 0.9374231828640001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.996039, 0.564984], ""xyz"": [2.82076875, 3.953581586856, 8.150146182864], ""label"": ""O"", ""properties"": {}}]}",orth,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pnma', 'number': 62, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2ac 2n'}","[76651, 166362, 152315, 158255, 30258, 152312, 644065, 152313, 35076, 151751, 644063, 36167, 166363, 152314, 180590, 151750, 158256, 644058, 76365]","['Molybdenum oxide', 'Molybdenum trioxide', 'High pressure experimental phase', 'Molybdite', 'Molybdenum trioxide - alpha', 'Molydenum oxide']",3.0,12,6.0,24,6.82,2.6,22.343453687075066,3.7239089478458443
-pymatgen.analysis.thermochemistry,ThermoData,fH,MoO2,MoO2,monocl,-6.093154082972933,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.7,True,Mo,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[1.562449, 2.846702, 0.0], [-1.562449, 2.846702, 0.0], [0.0, 1.96371, 4.676703]], ""a"": 3.2473002870700145, ""b"": 3.2473002870700145, ""c"": 5.07224880248485, ""alpha"": 70.1604137636303, ""beta"": 70.1604137636303, ""gamma"": 57.52149592040226, ""volume"": 41.60232887911833}, ""sites"": [{""species"": [{""element"": ""Mo"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Mo"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.73539, 0.73539, 0.790221], ""xyz"": [-3.6429243053248684e-17, 5.738637247470001, 3.695628921363], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.26461, 0.26461, 0.209779], ""xyz"": [-1.9081908178009143e-17, 1.9184767525300002, 0.9810740786369999], ""label"": ""O"", ""properties"": {}}]}",monocl,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'C2/m', 'number': 12, 'point_group': '2/m', 'crystal_system': 'monoclinic', 'hall': '-C 2y'}",[],[],2.0,2,6.0,6,6.82,2.6,18.113154082972933,3.018859013828822
-pymatgen.analysis.thermochemistry,ThermoData,fH,RuO2,RuO2,tetrag,-3.1611022202870296,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",6.3,True,Ru,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.543267, 0.0, 0.0], [0.0, 4.543267, 0.0], [0.0, 0.0, 3.139796]], ""a"": 4.543267, ""b"": 4.543267, ""c"": 3.139796, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 64.80939278442068}, ""sites"": [{""species"": [{""element"": ""Ru"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.2716335, 2.2716335, 1.569898], ""label"": ""Ru"", ""properties"": {}}, {""species"": [{""element"": ""Ru"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Ru"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.19431, 0.80569, 0.5], ""xyz"": [0.8828022107700001, 3.66046478923, 1.569898], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.80569, 0.19431, 0.5], ""xyz"": [3.66046478923, 0.8828022107700001, 1.569898], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.69431, 0.69431, 0.0], ""xyz"": [3.15443571077, 3.15443571077, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.30569, 0.30569, 0.0], ""xyz"": [1.38883128923, 1.38883128923, 0.0], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4_2/mnm', 'number': 136, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-P 4n 2n'}","[236962, 108861, 84618, 647376, 172178, 15071, 236963, 84575, 23961, 647377, 56007, 51159, 647373, 84619, 290496]","['High pressure experimental phase', 'Ruthenium oxide (1/2)', 'Ruthenium(IV) oxide', 'Ruthenium oxide', 'Ruthenium dioxide']",2.0,4,6.0,12,6.74,2.6,15.101102220287029,2.516850370047838
-pymatgen.analysis.thermochemistry,ThermoData,fH,Rh2O3,Rh2O3,rhomb,-3.6855342607674353,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.0,True,Rh,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[5.26003, 0.0, 0.0], [0.0, 5.453001, 0.0], [0.0, 0.0, 7.37585]], ""a"": 5.26003, ""b"": 5.453001, ""c"": 7.37585, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 211.56112827549381}, ""sites"": [{""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.749682, 0.030092, 0.107313], ""xyz"": [3.94334981046, 0.16409170609200002, 0.7915245910500001], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.749682, 0.469908, 0.892687], ""xyz"": [3.94334981046, 2.5624087939080002, 6.58432540895], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.750318, 0.530092, 0.392687], ""xyz"": [3.9466951895400006, 2.890592206092, 2.89640040895], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.750318, 0.969908, 0.607313], ""xyz"": [3.9466951895400006, 5.2889092939080005, 4.47944959105], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.250318, 0.969908, 0.892687], ""xyz"": [1.31668018954, 5.2889092939080005, 6.58432540895], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.250318, 0.530092, 0.107313], ""xyz"": [1.31668018954, 2.890592206092, 0.7915245910500001], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.249682, 0.469908, 0.607313], ""xyz"": [1.31333481046, 2.5624087939080002, 4.47944959105], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""Rh"", ""occu"": 1}], ""abc"": [0.249682, 0.030092, 0.392687], ""xyz"": [1.31333481046, 0.16409170609200002, 2.89640040895], ""label"": ""Rh"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.05012, 0.25, 0.0], ""xyz"": [0.2636327036, 1.36325025, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.44988, 0.75, 0.5], ""xyz"": [2.3663822964000003, 4.08975075, 3.687925], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.94988, 0.75, 0.0], ""xyz"": [4.9963972964000005, 4.08975075, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.55012, 0.25, 0.5], ""xyz"": [2.8936477036000006, 1.36325025, 3.687925], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.607223, 0.112046, 0.848913], ""xyz"": [3.19401119669, 0.6109869500460001, 6.26145495105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.607223, 0.387954, 0.151087], ""xyz"": [3.19401119669, 2.115513549954, 1.1143950489499999], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.892777, 0.612046, 0.651087], ""xyz"": [4.696033803310001, 3.3374874500460003, 4.8023200489499995], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.892777, 0.887954, 0.348913], ""xyz"": [4.696033803310001, 4.842014049954001, 2.57352995105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.392777, 0.887954, 0.151087], ""xyz"": [2.06601880331, 4.842014049954001, 1.1143950489499999], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.392777, 0.612046, 0.848913], ""xyz"": [2.06601880331, 3.3374874500460003, 6.26145495105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.107223, 0.387954, 0.348913], ""xyz"": [0.56399619669, 2.115513549954, 2.57352995105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.107223, 0.112046, 0.651087], ""xyz"": [0.56399619669, 0.6109869500460001, 4.8023200489499995], ""label"": ""O"", ""properties"": {}}]}",rhomb,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pbcn', 'number': 60, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2n 2ab'}","[41534, 181830, 647368, 21045]","['Dirhodium trioxide - (Rh2O3-II)-type', 'Rhodium oxide (2/3)']",3.0,12,12.0,48,5.75,2.6,22.985534260767437,1.9154611883972865
-pymatgen.analysis.thermochemistry,ThermoData,fH,PdO,PdO,tetrag,-1.1970731358791866,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",3.3,True,Pd,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[3.095951, 0.0, 0.0], [0.0, 3.095951, 0.0], [0.0, 0.0, 5.442299]], ""a"": 3.095951, ""b"": 3.095951, ""c"": 5.442299, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 52.163960227595965}, ""sites"": [{""species"": [{""element"": ""Pd"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.5], ""xyz"": [0.0, 1.5479755, 2.7211495], ""label"": ""Pd"", ""properties"": {}}, {""species"": [{""element"": ""Pd"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.0], ""xyz"": [1.5479755, 0.0, 0.0], ""label"": ""Pd"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.75], ""xyz"": [0.0, 0.0, 4.081724250000001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.25], ""xyz"": [0.0, 0.0, 1.36057475], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4_2/mmc', 'number': 131, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-P 4c 2'}","[185482, 26598, 24692, 29281]","['Palladium oxide', 'Palladinite']",1.0,2,4.0,8,3.89,2.6,7.687073135879187,1.9217682839697967
-pymatgen.analysis.thermochemistry,ThermoData,fH,Ag2O,Ag2O,cubic,-0.3223287837735299,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.6,True,Ag,2.0,1.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.840837, 0.0, 0.0], [0.0, 4.840837, 0.0], [0.0, 0.0, 4.840837]], ""a"": 4.840837, ""b"": 4.840837, ""c"": 4.840837, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 113.43873585444823}, ""sites"": [{""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.75], ""xyz"": [1.21020925, 1.21020925, 3.6306277499999995], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.75, 0.25, 0.25], ""xyz"": [3.6306277499999995, 1.21020925, 1.21020925], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.25, 0.75, 0.25], ""xyz"": [1.21020925, 3.6306277499999995, 1.21020925], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [3.6306277499999995, 3.6306277499999995, 3.6306277499999995], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.4204185, 2.4204185, 2.4204185], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pn-3m', 'number': 224, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': 'P 4n 2 3 -1n'}","[174090, 174091, 174089, 174088, 247821, 31058, 605623, 174087, 173984, 281041, 174092, 35540, 246904]",['Silver oxide'],1.0,2,4.0,8,2.95,2.6,8.82232878377353,2.2055821959433826
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-pymatgen.analysis.thermochemistry,ThermoData,fH,AgO,AgO,cryst,-0.1259258753327456,298,,Standard Thermodynamic Properties of Chemical Substances (CRC Press),0.0,True,Ag,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[2.247366, 2.408142, 0.0], [-2.247366, 2.408142, 0.0], [0.0, 0.464774, 5.575971]], ""a"": 3.293903737227304, ""b"": 3.293903737227304, ""c"": 5.595307629068933, ""alpha"": 86.51839916387142, ""beta"": 86.51839916387142, ""gamma"": 86.04420107986115, ""volume"": 60.35404752006141}, ""sites"": [{""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.5], ""xyz"": [-1.123683, 1.436458, 2.7879855], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""Ag"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.0], ""xyz"": [1.123683, 1.204071, 0.0], ""label"": ""Ag"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.022648, 0.977352, 0.75], ""xyz"": [-2.145569309664, 2.7567225, 4.18197825], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.977352, 0.022648, 0.25], ""xyz"": [2.145569309664, 2.5243355, 1.39399275], ""label"": ""O"", ""properties"": {}}]}",monocl,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'C2/c', 'number': 15, 'point_group': '2/m', 'crystal_system': 'monoclinic', 'hall': '-C 2yc'}","[27669, 27667, 27659, 605625]","['Silver oxide (1/1)', 'Silver(II) oxide']",1.0,2,4.0,8,2.95,2.6,5.675925875332746,1.4189814688331865
-pymatgen.analysis.thermochemistry,ThermoData,fH,CdO,CdO,cubic,-2.6781272581054703,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Cd,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.39185, 2.39185], [2.39185, 0.0, 2.39185], [2.39185, 2.39185, 0.0]], ""a"": 3.382586709162087, ""b"": 3.382586709162087, ""c"": 3.382586709162087, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 27.367291401313242}, ""sites"": [{""species"": [{""element"": ""Cd"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Cd"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.39185, 2.39185, 2.39185], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[29289, 29291, 29292, 181294, 181735, 620205, 620204, 31055, 620202, 29290, 620206, 24802, 61554, 181057]","['Monteponite (In-exchanged)', 'Cadmium oxide (1/1)', 'Monteponite', 'Cadmium oxide']",1.0,1,6.0,6,1.16,2.6,6.438127258105471,1.073021209684245
-pymatgen.analysis.thermochemistry,ThermoData,fH,In2O3,In2O3,cubic,-9.596277199225444,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.7,True,In,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-5.149781, 5.149781, 5.149781], [5.149781, -5.149781, 5.149781], [5.149781, 5.149781, -5.149781]], ""a"": 8.91968233985286, ""b"": 8.91968233985286, ""c"": 8.91968233985286, ""alpha"": 109.47122063449069, ""beta"": 109.47122063449069, ""gamma"": 109.47122063449069, ""volume"": 546.2938018339478}, ""sites"": [{""species"": [{""element"": ""In"", ""occu"": 1}], ""abc"": [0.033444, 0.75, 0.783444], ""xyz"": [7.7246715, 0.3444585515280002, -5.479300437940537e-16], ""label"": ""In"", ""properties"": {}}, {""species"": [{""element"": ""In"", ""occu"": 1}], ""abc"": [0.966556, 0.25, 0.216556], ""xyz"": [-2.5748905, 4.805322448472, 5.149781], ""label"": ""In"", ""properties"": {}}, {""species"": [{""element"": ""In"", ""occu"": 1}], ""abc"": [0.466556, 0.25, 0.716556], ""xyz"": 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4.016669536789], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.992018, 0.955858, 0.727845], ""xyz"": [3.562026270985, 3.934458432904999, 6.282892463211], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Ia-3', 'number': 206, 'point_group': 'm-3', 'crystal_system': 'cubic', 'hall': '-I 2b 2c 3'}","[181833, 190344, 182792, 169426, 184331, 14388, 169432, 190345, 182789, 41265, 169429, 640178, 33649, 640179, 169423, 187791, 14387, 169420]","['Indium oxide (2/3)', 'Diindium trioxide', 'Indium oxide', 'Diindium trioxide - C-type']",3.0,24,12.0,96,2.52,2.6,22.436277199225444,1.8696897666021204
-pymatgen.analysis.thermochemistry,ThermoData,fH,SnO,SnO,tetrag,-2.909250469621538,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Sn,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[3.870595, 0.0, 0.0], [0.0, 3.870595, 0.0], [0.0, 0.0, 5.025226]], ""a"": 3.870595, ""b"": 3.870595, ""c"": 5.025226, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 75.28545173175343}, ""sites"": [{""species"": [{""element"": ""Sn"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.231255], ""xyz"": [0.0, 1.9352975, 1.16210863863], ""label"": ""Sn"", ""properties"": {}}, {""species"": [{""element"": ""Sn"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.768745], ""xyz"": [1.9352975, 0.0, 3.86311736137], ""label"": ""Sn"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.0], ""xyz"": [1.9352975, 1.9352975, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4/nmm', 'number': 129, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': 'P 4ab 2ab -1ab'}","[16481, 41954, 53926, 26597, 15516]","['Romarchite', 'Tin oxide']",1.0,2,4.0,8,3.14,2.6,8.649250469621538,2.1623126174053846
-pymatgen.analysis.thermochemistry,ThermoData,fH,SnO2,SnO2,tetrag,-5.986402106353404,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.4,True,Sn,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.832336, 0.0, 0.0], [0.0, 4.832336, 0.0], [0.0, 0.0, 3.243221]], ""a"": 4.832336, ""b"": 4.832336, ""c"": 3.243221, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 75.73398183153266}, ""sites"": [{""species"": [{""element"": ""Sn"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.416168, 2.416168, 1.6216105], ""label"": ""Sn"", ""properties"": {}}, {""species"": [{""element"": ""Sn"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Sn"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.806552, 0.193448, 0.5], ""xyz"": [3.897530265472, 0.934805734528, 1.6216105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.193448, 0.806552, 0.5], ""xyz"": [0.934805734528, 3.897530265472, 1.6216105], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.306552, 0.306552, 0.0], ""xyz"": [1.4813622654719998, 1.4813622654719998, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.693448, 0.693448, 0.0], ""xyz"": [3.3509737345279995, 3.3509737345279995, 0.0], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4_2/mnm', 'number': 136, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-P 4n 2n'}","[92552, 262767, 262771, 39173, 290013, 184420, 39174, 181276, 647470, 647469, 184326, 157448, 39175, 191344, 39176, 262770, 169032, 647465, 160667, 183984, 262769, 84576, 181277, 16635, 56001, 9163, 39178, 91517, 56671, 184325, 56673, 169033, 181109, 262768, 189463, 157449, 184324, 154960, 39177, 191343, 56674, 56672]","['Tin dioxide - rutile-type', 'Tin(IV) oxide', 'Tin oxide', 'Cassiterite', 'High pressure experimental phase', 'Tin dioxide', 'Tin(IV) dioxide', 'Tin dioxide - rutile-type, NP stable']",2.0,4,6.0,12,3.14,2.6,14.326402106353406,2.3877336843922343
-pymatgen.analysis.thermochemistry,ThermoData,fH,Sb2O5,Sb2O5,cubic,-10.442001596521909,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",4.6,True,Sb,2.0,5.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 5.546935, 5.546935], [5.546935, 0.0, 5.546935], [5.546935, 5.546935, 0.0]], ""a"": 7.844550706602004, ""b"": 7.844550706602004, ""c"": 7.844550706602004, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 341.341604795106}, ""sites"": [{""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.88009, 0.88009, 0.359729], ""xyz"": [6.877195404765001, 6.877195404765001, 9.763604048300001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.36991, 0.890271, 0.36991], ""xyz"": [6.990142095235001, 4.1037334517, 6.990142095235001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.359729, 0.88009, 0.88009], ""xyz"": [9.763604048300001, 6.877195404765001, 6.877195404765001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.88009, 0.88009, 0.88009], ""xyz"": [9.763604048300001, 9.763604048300001, 9.763604048300001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.36991, 0.36991, 0.890271], ""xyz"": [6.990142095235001, 6.990142095235001, 4.1037334517], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.88009, 0.359729, 0.88009], ""xyz"": [6.877195404765001, 9.763604048300001, 6.877195404765001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.890271, 0.36991, 0.36991], ""xyz"": [4.1037334517, 6.990142095235001, 6.990142095235001], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""Sb"", ""occu"": 1}], ""abc"": [0.36991, 0.36991, 0.36991], ""xyz"": [4.1037334517, 4.1037334517, 4.1037334517], ""label"": ""Sb"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.315148, 0.315148, 0.684852], ""xyz"": [5.546935, 5.546935, 3.49621094276], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.125, 0.125, 0.625], ""xyz"": [4.16020125, 4.16020125, 1.38673375], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.625, 0.625, 0.125], ""xyz"": [4.16020125, 4.16020125, 6.933668750000001], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.565148, 0.934852, 0.934852], ""xyz"": [10.37112655724, 8.3204025, 8.3204025], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.315148, 0.684852, 0.684852], ""xyz"": [7.5976590572400005, 5.546935, 5.546935], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 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-pymatgen.analysis.thermochemistry,ThermoData,fH,La2O3,La2O3,cubic,-18.6028274596498,298,,"O. Kubaschewski, C. Alcock, P. 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1}], ""abc"": [0.4908, 0.758445, 0.023085], ""xyz"": [1.61436990495, -1.3579964364, 6.8086396404], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Ia-3', 'number': 206, 'point_group': 'm-3', 'crystal_system': 'cubic', 'hall': '-I 2b 2c 3'}","[184532, 621711, 96202]","['Cerium(III) oxide', 'Dicerium trioxide - C', 'Cerium oxide (2/3)']",3.0,24,12.0,96,4.32,2.6,35.09257595360842,2.924381329467368
-pymatgen.analysis.thermochemistry,ThermoData,fH,CeO2,CeO2,cubic,-11.3011995442655,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Ce,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.733725, 2.733725], [2.733725, 0.0, 2.733725], [2.733725, 2.733725, 0.0]], ""a"": 3.8660709707983894, ""b"": 3.8660709707983894, ""c"": 3.8660709707983894, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 40.859633701110916}, ""sites"": [{""species"": [{""element"": ""Ce"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Ce"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [4.1005875000000005, 4.1005875000000005, 4.1005875000000005], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.25], ""xyz"": [1.3668625, 1.3668625, 1.3668625], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[239412, 239414, 237959, 238381, 182180, 182182, 88759, 169030, 28753, 621718, 29046, 621704, 167160, 182183, 186493, 182181, 290464, 182988, 246087, 164225, 185143, 156250, 621716, 164744, 28709, 180955, 169029, 192225, 181028, 621707, 621719, 193169, 72155, 182989, 290467, 184584, 165720, 621705, 180851, 186172, 192223, 192224, 157419, 262755, 621710, 186923, 53995, 182990, 61595]","['Cerianite-(Ce)', 'Cerium dioxide - nanospheres, self-assembled', 'Cerianite', 'High pressure experimental phase', 'Cerium(IV) oxide', 'Cerium dioxide - fluorite-type', 'Cerium oxide (1/2)', 'Cerium dioxide - nanocrystalline', 'Cerium(IV) dioxide', 'Cerium dioxide']",2.0,2,8.0,8,4.32,2.6,20.8211995442655,2.6026499430331875
-pymatgen.analysis.thermochemistry,ThermoData,fH,Pr2O3,Pr2O3,hex,-18.75518222239806,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.0,True,Pr,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[1.949625, -3.37685, 0.0], [1.949625, 3.37685, 0.0], [0.0, 0.0, 6.137639]], ""a"": 3.899250384769488, ""b"": 3.899250384769488, ""c"": 6.137639, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 120.00000652847126, ""volume"": 80.81541198819214}, ""sites"": [{""species"": [{""element"": ""Pr"", ""occu"": 1}], ""abc"": [0.666667, 0.333333, 0.751301], ""xyz"": [1.949625, -1.1256189179, 4.611214318339], ""label"": ""Pr"", ""properties"": {}}, {""species"": [{""element"": ""Pr"", ""occu"": 1}], ""abc"": [0.333333, 0.666667, 0.248699], ""xyz"": [1.949625, 1.1256189179000002, 1.526424681661], ""label"": ""Pr"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.666667, 0.333333, 0.355365], ""xyz"": [1.949625, -1.1256189179, 2.181102083235], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.333333, 0.666667, 0.644635], ""xyz"": [1.949625, 1.1256189179000002, 3.9565369167649997], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",trigon,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P-3m1', 'number': 164, 'point_group': '-3m', 'crystal_system': 'trigonal', 'hall': '-P 3 2""'}","[154588, 160207, 184525, 600743, 647302, 61179, 647291, 75481, 96198]","['Praseodymium oxide', 'Dipraseodymium trioxide - A', 'Praseodymium(III) oxide', 'Praseodymium oxide (2/3)']",3.0,3,14.0,14,3.7,2.6,33.955182222398065,2.425370158742719
-pymatgen.analysis.thermochemistry,ThermoData,fH,Nd2O3,Nd2O3,cubic,-18.74170867195093,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",3.3,True,Nd,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[-5.590539, 5.590539, 5.590539], [5.590539, -5.590539, 5.590539], [5.590539, 5.590539, -5.590539]], ""a"": 9.683097589695302, ""b"": 9.683097589695302, ""c"": 9.683097589695302, ""alpha"": 109.47122063449069, ""beta"": 109.47122063449069, ""gamma"": 109.47122063449069, ""volume"": 698.9096481995749}, ""sites"": [{""species"": [{""element"": ""Nd"", ""occu"": 1}], ""abc"": [0.719223, 0.469223, 0.25], ""xyz"": [2.220446049250313e-16, 2.7952695, 5.246418962393999], ""label"": ""Nd"", ""properties"": {}}, {""species"": [{""element"": ""Nd"", ""occu"": 1}], ""abc"": [0.75, 0.780777, 0.030777], ""xyz"": [0.3441200376060003, -3.0222406494928578e-16, 8.3858085], ""label"": ""Nd"", ""properties"": {}}, {""species"": [{""element"": ""Nd"", ""occu"": 1}], ""abc"": [0.030777, 0.75, 0.780777], 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""abc"": [0.905209, 0.366614, 0.0], ""xyz"": [8.182595115886, 3.313990388756, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.633386, 0.905209, 0.5], ""xyz"": [5.725463611244, 8.182595115886, 3.388333], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.366614, 0.094791, 0.5], ""xyz"": [3.313990388756, 0.8568588841139999, 3.388333], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4_2/mbc', 'number': 135, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-P 4c 2ab'}","[29094, 42484, 647261, 647270, 22325, 36253, 4106]","['Minium', 'Dilead lead(IV) oxide', 'Lead oxide (3/4)']",4.0,16,14.0,56,2.03,2.6,23.93983697030268,1.70998835502162
-pymatgen.analysis.thermochemistry,ThermoData,fH,PbO,PbO,r.tet,-2.273920744691719,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.8,True,Pb,1.0,2.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[4.062481, 0.0, 0.0], [0.0, 4.062481, 0.0], [0.0, 0.0, 5.302339]], ""a"": 4.062481, ""b"": 4.062481, ""c"": 5.302339, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 87.50848721504977}, ""sites"": [{""species"": [{""element"": ""Pb"", ""occu"": 1}], ""abc"": [0.5, 0.0, 0.224351], ""xyz"": [2.0312405, 0.0, 1.1895850569889999], ""label"": ""Pb"", ""properties"": {}}, {""species"": [{""element"": ""Pb"", ""occu"": 1}], ""abc"": [0.0, 0.5, 0.775649], ""xyz"": [0.0, 2.0312405, 4.1127539430110005], ""label"": ""Pb"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.0], ""xyz"": [2.0312405, 2.0312405, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}]}",tetrag,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P4/nmm', 'number': 129, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': 'P 4ab 2ab -1ab'}","[62849, 62840, 53927, 62847, 62841, 62848, 62846, 647260, 99776, 62845, 62843, 15466, 62842, 600296, 26596, 99777, 62844, 94333, 64799, 647266, 64778]","['Litharge', 'Lead oxide (1/1)', 'Lead oxide']",1.0,2,4.0,8,2.03,2.6,6.903920744691719,1.7259801861729298
-pymatgen.analysis.thermochemistry,ThermoData,fH,Bi2O3,Bi2O3,monocl,-5.914888646287895,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",3.3,True,Bi,2.0,3.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[8.276447, 0.0, 0.0], [0.0, 5.933349, 0.0], [0.0, 2.877331, 6.956148]], ""a"": 8.276447, ""b"": 5.933349, ""c"": 7.527750572479471, ""alpha"": 67.52812650510225, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 341.5958974248394}, ""sites"": [{""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.541301, 0.039676, 0.723024], ""xyz"": [4.4800490375469995, 2.315790923868, 5.029461951552], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.041301, 0.960324, 0.776976], ""xyz"": [0.34182553754699996, 7.933554576132, 5.404760048448], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.458699, 0.960324, 0.276976], ""xyz"": [3.7963979624529998, 6.494889076132, 1.926686048448], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.958699, 0.039676, 0.223024], ""xyz"": [7.934621462452999, 0.877125423868, 1.551387951552], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.683241, 0.524096, 0.134274], ""xyz"": [5.654807924727, 3.4959952201979996, 0.934029816552], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.183241, 0.475904, 0.365726], ""xyz"": [1.5165844247269997, 3.876019279802, 2.544044183448], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.316759, 0.475904, 0.865726], ""xyz"": [2.621639075273, 5.314684779802, 6.022118183448], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""Bi"", ""occu"": 1}], ""abc"": [0.816759, 0.524096, 0.634274], ""xyz"": [6.759862575272999, 4.934660720198, 4.4121038165519995], ""label"": ""Bi"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.533105, 0.269235, 0.988109], ""xyz"": [4.412215277935, 4.440581875094, 6.873432444132], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.033105, 0.730765, 0.511891], ""xyz"": [0.273991777935, 5.808763624906, 3.560789555868], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.466895, 0.730765, 0.011891], ""xyz"": [3.8642317220649995, 4.370098124906, 0.082715555868], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.966895, 0.269235, 0.488109], ""xyz"": [8.002455222064999, 3.001916375094, 3.395358444132], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.549862, 0.236563, 0.376717], ""xyz"": [4.550903700314, 2.487550341814, 2.620499206116], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.049862, 0.763437, 0.123283], ""xyz"": [0.41268020031399993, 4.884464158186001, 0.857574793884], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.450138, 0.763437, 0.623283], ""xyz"": [3.7255432996859996, 6.323129658186001, 4.335648793884], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.950138, 0.236563, 0.876717], ""xyz"": [7.863766799685999, 3.926215841814, 6.098573206116], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.701797, 0.777678, 0.294322], ""xyz"": [5.808385675258999, 5.461096798203999, 2.047347391656], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.201797, 0.222322, 0.205678], ""xyz"": [1.670162175259, 1.910917701796, 1.430726608344], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.298203, 0.222322, 0.705678], ""xyz"": [2.468061324741, 3.349583201796, 4.908800608344], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.798203, 0.777678, 0.794322], ""xyz"": [6.6062848247409995, 6.899762298203999, 5.525421391656], ""label"": ""O"", ""properties"": {}}]}",monocl,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P2_1/c', 'number': 14, 'point_group': '2/m', 'crystal_system': 'monoclinic', 'hall': '-P 2ybc'}","[94229, 616890, 190461, 260800, 168567, 15072, 2374, 168806, 94230, 94231]","['Bismite', 'High pressure experimental phase', 'Bismuth oxide', 'Dibismuth trioxide - alpha', 'Dibismuth trioxide', 'Dibismuth trioxide - alpha, nanometric']",3.0,12,11.0,44,2.18,2.6,18.074888646287896,1.6431716951170814
-pymatgen.analysis.thermochemistry,ThermoData,fH,ThO2,ThO2,cubic,-12.713849487298686,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.3,True,Th,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.809636, 2.809636], [2.809636, 0.0, 2.809636], [2.809636, 2.809636, 0.0]], ""a"": 3.973425336531693, ""b"": 3.973425336531693, ""c"": 3.973425336531693, ""alpha"": 59.99999999999999, ""beta"": 59.99999999999999, ""gamma"": 59.99999999999999, ""volume"": 44.35883915138609}, ""sites"": [{""species"": [{""element"": ""Th"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""Th"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [4.214454, 4.214454, 4.214454], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.25], ""xyz"": [1.404818, 1.404818, 1.404818], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[28778, 647528, 647527, 61585, 246706, 105550, 647529, 647530, 647523, 77691, 647525, 61586, 77690, 601173, 647531, 236586, 647524, 53999, 28685]","['Thoria', 'Thorianite', 'Thorium oxide', 'Thorium dioxide']",2.0,2,8.0,8,6.2,2.6,24.113849487298687,3.014231185912336
-pymatgen.analysis.thermochemistry,ThermoData,fH,UO2,UO2,cubic,-11.245232488562056,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",0.0,True,U,1.0,4.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[0.0, 2.710173, 2.710173], [2.710173, 0.0, 2.710173], [2.710173, 2.710173, 0.0]], ""a"": 3.8327634129773784, ""b"": 3.8327634129773784, ""c"": 3.8327634129773784, ""alpha"": 60.00000000000001, ""beta"": 60.00000000000001, ""gamma"": 60.00000000000001, ""volume"": 39.8126456624559}, ""sites"": [{""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.5], ""xyz"": [2.710173, 2.710173, 2.710173], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.25, 0.25, 0.25], ""xyz"": [1.3550865, 1.3550865, 1.3550865], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.75, 0.75, 0.75], ""xyz"": [4.0652595, 4.0652595, 4.0652595], ""label"": ""O"", ""properties"": {}}]}",cubic,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}","[29136, 24224, 61636, 29085, 29086, 29090, 183126, 647597, 29088, 647600, 647590, 185080, 647594, 29089, 647592, 160813, 160815, 28767, 61565, 24850, 647583, 160814, 56005, 168164, 647595, 77700, 77701, 35204, 246851]","['Uraninite C', 'Uranium oxide', 'Uranium dioxide', 'Uraninite', 'High pressure experimental phase', 'Uranium(IV) oxide', 'Uranium oxide (2/5)']",2.0,2,8.0,8,5.55,2.6,21.995232488562056,2.749404061070257
-pymatgen.analysis.thermochemistry,ThermoData,fH,U3O8,U3O8,orth,-37.05019087567893,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",2.5,True,U,3.0,5.333333333333333,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[3.507387, -5.802719, 0.0], [3.507387, 5.802719, 0.0], [0.0, 0.0, 4.160251]], ""a"": 6.780362185070205, ""b"": 6.780362185070205, ""c"": 4.160251, ""alpha"": 90.0, ""beta"": 90.0, ""gamma"": 117.69923444006346, ""volume"": 169.34202835665994}, ""sites"": [{""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.318687, 0.681313, 0.0], ""xyz"": [3.5073869999999996, 2.1042167800939997, 0.0], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.681313, 0.318687, 0.0], ""xyz"": [3.5073869999999996, -2.1042167800939997, 0.0], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.0], ""xyz"": [0.0, 0.0, 0.0], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.037669, 0.331932, 0.0], ""xyz"": [1.296333742587, 1.7075255010969999, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.962331, 0.668068, 0.0], ""xyz"": [5.718440257413, -1.7075255010970003, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.331932, 0.037669, 0.0], ""xyz"": [1.296333742587, -1.7075255010969999, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.5, 0.5, 0.0], ""xyz"": [3.507387, 0.0, 0.0], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.0, 0.0, 0.5], ""xyz"": [0.0, 0.0, 2.0801255], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.684273, 0.315727, 0.5], ""xyz"": [3.507387, -2.1385688765740003, 2.0801255], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.315727, 0.684273, 0.5], ""xyz"": [3.507387, 2.1385688765740003, 2.0801255], ""label"": ""O"", ""properties"": {}}, {""species"": [{""element"": ""O"", ""occu"": 1}], ""abc"": [0.668068, 0.962331, 0.0], ""xyz"": [5.718440257413, 1.7075255010970003, 0.0], ""label"": ""O"", ""properties"": {}}]}",orth,"{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Cmmm', 'number': 65, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-C 2 2'}",[],[],8.0,8,20.0,20,5.55,2.6,74.50019087567892,3.7250095437839463
-pymatgen.analysis.thermochemistry,ThermoData,fH,UO3,UO3,monocl,-12.683793105532022,298,,"O. Kubaschewski, C. Alcock, P. Spencer, Materials Thermochemistry, 6th ed., Oxford, Pergamom Press, 1993.",1.3,True,U,1.0,6.0,"{""@module"": ""pymatgen.core.structure"", ""@class"": ""Structure"", ""charge"": 0, ""lattice"": {""matrix"": [[14.509979, 0.0, 0.0], [0.0, 4.074556, 0.0], [0.0, 1.364488, 10.396934]], ""a"": 14.509979, ""b"": 4.074556, ""c"": 10.486089075651607, ""alpha"": 82.52326338543001, ""beta"": 90.0, ""gamma"": 90.0, ""volume"": 614.684641541335}, ""sites"": [{""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.49786, 0.34472, 0.334397], ""xyz"": [7.22393814494, 1.8608616380560001, 3.476703538798], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.233869, 0.201676, 0.198534], ""xyz"": [3.3934342787509997, 1.092637416448, 2.0641448947559997], ""label"": ""U"", ""properties"": {}}, {""species"": [{""element"": ""U"", ""occu"": 1}], ""abc"": [0.481843, 0.9974, 0.001372], ""xyz"": [6.991531811297, 4.065834231936001, 0.014264593447999999], 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diff --git a/jarvis_leaderboard/contributions/crystal_feature_model/Vr.csv b/jarvis_leaderboard/contributions/crystal_feature_model/Vr.csv
deleted file mode 100644
index 5bc41afdc..000000000
--- a/jarvis_leaderboard/contributions/crystal_feature_model/Vr.csv
+++ /dev/null
@@ -1,170 +0,0 @@
-elem,n,m,dHf_n,dHf_m,N_n,N_m,Er,Vr
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-Li,1.0,0.0,-6.201097950593555,0.0,2.0,1.0,3.1005489752967774,-3.1005489752967774
-Be,2.0,0.0,-6.312358384478084,0.0,1.0,1.0,6.312358384478084,-3.156179192239042
-B,3.0,0.0,-13.143033890387493,0.0,2.0,1.0,6.571516945193746,-2.1905056483979153
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-Na,4.0,1.0,-2.7017577927358127,-4.317132848650358,1.0,2.0,0.5431913684106338,-0.18106378947021126
-Na,4.0,0.0,-2.7017577927358127,0.0,1.0,1.0,2.7017577927358127,-0.6754394481839532
-Na,2.0,1.0,-5.317958540132382,-4.317132848650358,2.0,2.0,0.5004128457410122,-0.5004128457410122
-Na,2.0,0.0,-5.317958540132382,0.0,2.0,1.0,2.658979270066191,-1.3294896350330956
-Na,1.0,0.0,-4.317132848650358,0.0,2.0,1.0,2.158566424325179,-2.158566424325179
-Mg,2.0,0.0,-6.233900863797516,0.0,1.0,1.0,6.233900863797516,-3.116950431898758
-Al,3.0,0.0,-17.367371978778934,0.0,2.0,1.0,8.683685989389467,-2.8945619964631555
-Si,4.0,0.0,-9.427339605157645,0.0,1.0,1.0,9.427339605157645,-2.356834901289411
-P,5.0,0.0,-15.598225709940916,0.0,2.0,1.0,7.799112854970458,-1.5598225709940916
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-K,1.0,0.0,-3.7641472454916225,0.0,2.0,1.0,1.8820736227458112,-1.8820736227458112
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-V,5.0,4.0,-16.06669069471788,-7.39801562242912,2.0,1.0,0.6353297249298206,-0.6353297249298206
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-V,4.0,3.0,-7.39801562242912,-12.631971757658464,1.0,2.0,1.0820297435998878,-1.0820297435998878
-V,4.0,2.0,-7.39801562242912,-4.475291602360457,1.0,1.0,2.922724020068663,-1.4613620100343314
-V,4.0,0.0,-7.39801562242912,0.0,1.0,1.0,7.39801562242912,-1.84950390560728
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-V,2.0,0.0,-4.475291602360457,0.0,1.0,1.0,4.475291602360457,-2.2376458011802285
-Cr,6.0,3.0,-6.083826240355693,-11.760336686425221,1.0,2.0,0.20365789714308224,-0.06788596571436074
-Cr,6.0,0.0,-6.083826240355693,0.0,1.0,1.0,6.083826240355693,-1.013971040059282
-Cr,3.0,0.0,-11.760336686425221,0.0,2.0,1.0,5.880168343212611,-1.9600561144042035
-Mn,4.0,3.0,-5.398748021467258,-9.930006679531157,1.0,2.0,0.433744681701679,-0.433744681701679
-Mn,4.0,2.6666666666666665,-5.398748021467258,-14.379387607954836,1.0,3.0,0.6056188188156453,-0.4542141141117339
-Mn,4.0,2.0,-5.398748021467258,-3.989207359306484,1.0,1.0,1.4095406621607736,-0.7047703310803868
-Mn,4.0,0.0,-5.398748021467258,0.0,1.0,1.0,5.398748021467258,-1.3496870053668144
-Mn,3.0,2.6666666666666665,-9.930006679531157,-14.379387607954836,2.0,3.0,0.17187413711396626,-0.5156224113418986
-Mn,3.0,2.0,-9.930006679531157,-3.989207359306484,2.0,1.0,0.9757959804590945,-0.9757959804590945
-Mn,3.0,0.0,-9.930006679531157,0.0,2.0,1.0,4.965003339765579,-1.655001113255193
-Mn,2.6666666666666665,2.0,-14.379387607954836,-3.989207359306484,3.0,1.0,0.8039218433451283,-1.2058827650176926
-Mn,2.6666666666666665,0.0,-14.379387607954836,0.0,3.0,1.0,4.793129202651612,-1.7974234509943547
-Mn,2.0,0.0,-3.989207359306484,0.0,1.0,1.0,3.989207359306484,-1.994603679653242
-Fe,3.0,2.6666666666666665,-8.544822050870957,-11.554554114019323,2.0,3.0,0.42089298742903747,-1.2626789622871117
-Fe,3.0,0.0,-8.544822050870957,0.0,2.0,1.0,4.272411025435479,-1.4241370084784928
-Fe,2.6666666666666665,0.0,-11.554554114019323,0.0,3.0,1.0,3.851518038006441,-1.4443192642524154
-Co,2.6666666666666665,2.0,-9.431588955683278,-2.463794163300435,3.0,1.0,0.6800688219273243,-1.0201032328909867
-Co,2.6666666666666665,0.0,-9.431588955683278,0.0,3.0,1.0,3.1438629852277593,-1.1789486194604097
-Co,2.0,0.0,-2.463794163300435,0.0,1.0,1.0,2.463794163300435,-1.2318970816502175
-Ni,2.0,0.0,-2.484315417058364,0.0,1.0,1.0,2.484315417058364,-1.242157708529182
-Cu,2.0,1.0,-1.6477115769876458,-1.7821879747195284,1.0,2.0,0.7566175896278816,-0.7566175896278816
-Cu,2.0,0.0,-1.6477115769876458,0.0,1.0,1.0,1.6477115769876458,-0.8238557884938229
-Cu,1.0,0.0,-1.7821879747195284,0.0,2.0,1.0,0.8910939873597642,-0.8910939873597642
-Zn,2.0,0.0,-3.6326764859364062,0.0,1.0,1.0,3.6326764859364062,-1.8163382429682031
-Ga,3.0,0.0,-11.287725993818373,0.0,2.0,1.0,5.643862996909187,-1.8812876656363955
-Ge,4.0,0.0,-6.011276353332712,0.0,1.0,1.0,6.011276353332712,-1.502819088333178
-As,5.0,3.0,-9.536164435692118,-6.900530682842964,2.0,2.0,1.317816876424577,-0.6589084382122885
-As,5.0,0.0,-9.536164435692118,0.0,2.0,1.0,4.768082217846059,-0.9536164435692118
-As,3.0,0.0,-6.900530682842964,0.0,2.0,1.0,3.450265341421482,-1.150088447140494
-Se,4.0,0.0,-2.3329970812675747,0.0,1.0,1.0,2.3329970812675747,-0.5832492703168937
-Rb,1.0,0.0,-3.5124509588697514,0.0,2.0,1.0,1.7562254794348757,-1.7562254794348757
-Sr,4.0,2.0,-6.565764775579781,-6.135647588229251,1.0,1.0,0.4301171873505307,-0.21505859367526536
-Sr,4.0,0.0,-6.565764775579781,0.0,1.0,1.0,6.565764775579781,-1.6414411938949454
-Sr,2.0,0.0,-6.135647588229251,0.0,1.0,1.0,6.135647588229251,-3.0678237941146254
-Y,3.0,0.0,-19.743933539825544,0.0,2.0,1.0,9.871966769912772,-3.290655589970924
-Zr,4.0,0.0,-11.408987947842498,0.0,1.0,1.0,11.408987947842498,-2.8522469869606244
-Nb,5.0,4.0,-19.687137342556127,-8.239387026504208,2.0,1.0,1.6041816447738562,-1.6041816447738562
-Nb,5.0,2.0,-19.687137342556127,-4.349676655114953,2.0,1.0,5.493892016163111,-1.831297338721037
-Nb,5.0,0.0,-19.687137342556127,0.0,2.0,1.0,9.843568671278064,-1.9687137342556127
-Nb,4.0,2.0,-8.239387026504208,-4.349676655114953,1.0,1.0,3.8897103713892545,-1.9448551856946272
-Nb,4.0,0.0,-8.239387026504208,0.0,1.0,1.0,8.239387026504208,-2.059846756626052
-Nb,2.0,0.0,-4.349676655114953,0.0,1.0,1.0,4.349676655114953,-2.1748383275574765
-Mo,6.0,4.0,-7.723298223031444,-6.092894976233565,1.0,1.0,1.6304032467978784,-0.8152016233989392
-Mo,6.0,0.0,-7.723298223031444,0.0,1.0,1.0,7.723298223031444,-1.2872163705052406
-Mo,4.0,0.0,-6.092894976233565,0.0,1.0,1.0,6.092894976233565,-1.5232237440583913
-Ru,4.0,0.0,-3.1611022202870296,0.0,1.0,1.0,3.1611022202870296,-0.7902755550717574
-Rh,3.0,0.0,-3.6855342607674353,0.0,2.0,1.0,1.8427671303837176,-0.6142557101279059
-Pd,2.0,0.0,-1.1970731358791866,0.0,1.0,1.0,1.1970731358791866,-0.5985365679395933
-Ag,3.0,2.0,0.3513487385827223,-0.1259258753327456,2.0,1.0,-0.30160024462410673,0.30160024462410673
-Ag,3.0,1.0,0.3513487385827223,-0.3223287837735299,2.0,2.0,-0.3368387611781261,0.16841938058906306
-Ag,3.0,0.0,0.3513487385827223,0.0,2.0,1.0,-0.17567436929136115,0.058558123097120385
-Ag,2.0,1.0,-0.1259258753327456,-0.3223287837735299,1.0,2.0,-0.035238516554019356,0.035238516554019356
-Ag,2.0,0.0,-0.1259258753327456,0.0,1.0,1.0,0.1259258753327456,-0.0629629376663728
-Ag,1.0,0.0,-0.3223287837735299,0.0,2.0,1.0,0.16116439188676496,-0.16116439188676496
-Cd,2.0,0.0,-2.6778681513661025,0.0,1.0,1.0,2.6778681513661025,-1.3389340756830512
-In,3.0,0.0,-9.596277199225444,0.0,2.0,1.0,4.798138599612722,-1.5993795332042406
-Sn,4.0,2.0,-5.986402106353404,-2.909250469621538,1.0,1.0,3.077151636731866,-1.538575818365933
-Sn,4.0,0.0,-5.986402106353404,0.0,1.0,1.0,5.986402106353404,-1.496600526588351
-Sn,2.0,0.0,-2.909250469621538,0.0,1.0,1.0,2.909250469621538,-1.454625234810769
-Sb,5.0,4.0,-10.442001596521909,-4.700196252131698,2.0,1.0,0.5208045461292565,-0.5208045461292565
-Sb,5.0,3.0,-10.442001596521909,-7.421853442450957,2.0,2.0,1.5100740770354757,-0.7550370385177378
-Sb,5.0,0.0,-10.442001596521909,0.0,2.0,1.0,5.221000798260954,-1.0442001596521908
-Sb,4.0,3.0,-4.700196252131698,-7.421853442450957,1.0,2.0,0.9892695309062192,-0.9892695309062192
-Sb,4.0,0.0,-4.700196252131698,0.0,1.0,1.0,4.700196252131698,-1.1750490630329244
-Sb,3.0,0.0,-7.421853442450957,0.0,2.0,1.0,3.7109267212254786,-1.2369755737418262
-Te,4.0,0.0,-3.2782184664812704,0.0,1.0,1.0,3.2782184664812704,-0.8195546166203176
-Cs,4.0,1.0,-2.966253952282452,-3.586037272850204,1.0,2.0,1.17323531585735,-0.3910784386191167
-Cs,4.0,0.0,-2.966253952282452,0.0,1.0,1.0,2.966253952282452,-0.741563488070613
-Cs,1.0,0.0,-3.586037272850204,0.0,2.0,1.0,1.793018636425102,-1.793018636425102
-Ba,4.0,2.0,-6.57405619123955,-5.680656153899413,1.0,1.0,0.893400037340137,-0.4467000186700685
-Ba,4.0,0.0,-6.57405619123955,0.0,1.0,1.0,6.57405619123955,-1.6435140478098875
-Ba,2.0,0.0,-5.680656153899413,0.0,1.0,1.0,5.680656153899413,-2.8403280769497066
-La,3.0,0.0,-18.602827459649802,0.0,2.0,1.0,9.301413729824901,-3.100471243274967
-Ce,4.0,3.0,-11.301199544265499,-18.652575953608416,1.0,2.0,1.974911567461291,-1.974911567461291
-Ce,4.0,0.0,-11.301199544265499,0.0,1.0,1.0,11.301199544265499,-2.8252998860663747
-Ce,3.0,0.0,-18.652575953608416,0.0,2.0,1.0,9.326287976804208,-3.108762658934736
-Pr,3.0,0.0,-18.75518222239806,0.0,2.0,1.0,9.37759111119903,-3.12586370373301
-Nd,3.0,0.0,-18.741708671950935,0.0,2.0,1.0,9.370854335975467,-3.1236181119918225
-Sm,3.0,0.0,-18.88991772686931,0.0,2.0,1.0,9.444958863434655,-3.148319621144885
-Eu,3.0,2.0,-17.23267102187293,-6.113882622122357,2.0,1.0,2.5024528888141093,-2.5024528888141093
-Eu,3.0,0.0,-17.23267102187293,0.0,2.0,1.0,8.616335510936466,-2.872111836978822
-Eu,2.0,0.0,-6.113882622122357,0.0,1.0,1.0,6.113882622122357,-3.0569413110611783
-Gd,3.0,0.0,-18.93241123212563,0.0,2.0,1.0,9.466205616062815,-3.1554018720209385
-Tb,4.0,3.0,-10.068887891832292,-19.331435610752024,1.0,2.0,0.4031700864562797,-0.4031700864562797
-Tb,4.0,0.0,-10.068887891832292,0.0,1.0,1.0,10.068887891832292,-2.517221972958073
-Tb,3.0,0.0,-19.331435610752024,0.0,2.0,1.0,9.665717805376012,-3.221905935125337
-Dy,3.0,0.0,-19.305524936815246,0.0,2.0,1.0,9.652762468407623,-3.217587489469208
-Ho,3.0,0.0,-19.49622749698994,0.0,2.0,1.0,9.74811374849497,-3.249371249498323
-Er,3.0,0.0,-19.670347225845095,0.0,2.0,1.0,9.835173612922548,-3.278391204307516
-Tm,3.0,0.0,-19.57499594575775,0.0,2.0,1.0,9.787497972878874,-3.2624993242929583
-Yb,3.0,0.0,-18.80700357027162,0.0,2.0,1.0,9.40350178513581,-3.1345005950452696
-Lu,3.0,0.0,-19.466171115223275,0.0,2.0,1.0,9.733085557611638,-3.2443618525372124
-Hf,4.0,0.0,-11.582071249740181,0.0,1.0,1.0,11.582071249740181,-2.8955178124350454
-Ta,5.0,0.0,-21.20944125768976,0.0,2.0,1.0,10.60472062884488,-2.1209441257689763
-W,6.0,4.0,-8.733969970609442,-6.109736914292472,1.0,1.0,2.62423305631697,-1.312116528158485
-W,6.0,0.0,-8.733969970609442,0.0,1.0,1.0,8.733969970609442,-1.4556616617682403
-W,4.0,0.0,-6.109736914292472,0.0,1.0,1.0,6.109736914292472,-1.527434228573118
-Re,7.0,6.0,-12.939790564027398,-6.331532283191299,2.0,1.0,0.13836299882239977,-0.13836299882239977
-Re,7.0,4.0,-12.939790564027398,-4.4835830180202265,2.0,1.0,1.9863122639934723,-0.662104087997824
-Re,7.0,0.0,-12.939790564027398,0.0,2.0,1.0,6.469895282013699,-0.9242707545733856
-Re,6.0,4.0,-6.331532283191299,-4.4835830180202265,1.0,1.0,1.8479492651710725,-0.9239746325855362
-Re,6.0,0.0,-6.331532283191299,0.0,1.0,1.0,6.331532283191299,-1.0552553805318832
-Re,4.0,0.0,-4.4835830180202265,0.0,1.0,1.0,4.4835830180202265,-1.1208957545050566
-Os,8.0,4.0,-4.080412931563946,-3.0533138167100295,1.0,1.0,1.0270991148539164,-0.2567747787134791
-Os,8.0,0.0,-4.080412931563946,0.0,1.0,1.0,4.080412931563946,-0.5100516164454932
-Os,4.0,0.0,-3.0533138167100295,0.0,1.0,1.0,3.0533138167100295,-0.7633284541775074
-Ir,4.0,0.0,-2.584848831933066,0.0,1.0,1.0,2.584848831933066,-0.6462122079832665
-Au,3.0,0.0,-0.03523851655401934,0.0,2.0,1.0,0.01761925827700967,-0.005873086092336557
-Hg,2.0,0.0,-0.9410065822533126,0.0,1.0,1.0,0.9410065822533126,-0.4705032911266563
-Tl,3.0,1.0,-4.046210841967397,-1.7349787268067172,2.0,2.0,1.1556160575803403,-0.5778080287901701
-Tl,3.0,0.0,-4.046210841967397,0.0,2.0,1.0,2.0231054209836987,-0.6743684736612329
-Tl,1.0,0.0,-1.7349787268067172,0.0,2.0,1.0,0.8674893634033586,-0.8674893634033586
-Pb,4.0,2.6666666666666665,-2.8449919982583265,-7.449836970302678,1.0,3.0,0.3617130081574338,-0.2712847561180753
-Pb,4.0,2.0,-2.8449919982583265,-2.273920744691719,1.0,1.0,0.5710712535666076,-0.2855356267833038
-Pb,4.0,0.0,-2.8449919982583265,0.0,1.0,1.0,2.8449919982583265,-0.7112479995645816
-Pb,2.6666666666666665,2.0,-7.449836970302678,-2.273920744691719,3.0,1.0,0.2093582454091738,-0.31403736811376076
-Pb,2.6666666666666665,0.0,-7.449836970302678,0.0,3.0,1.0,2.4832789901008927,-0.9312296212878348
-Pb,2.0,0.0,-2.273920744691719,0.0,1.0,1.0,2.273920744691719,-1.1369603723458594
-Bi,3.0,0.0,-5.914888646287895,0.0,2.0,1.0,2.9574443231439473,-0.9858147743813158
-Th,4.0,0.0,-12.713849487298686,0.0,1.0,1.0,12.713849487298686,-3.1784623718246716
-U,6.0,5.333333333333333,-12.683793105532022,-37.05019087567893,1.0,3.0,0.3337294803057116,-0.5005942204585672
-U,6.0,4.0,-12.683793105532022,-11.245232488562056,1.0,1.0,1.4385606169699656,-0.7192803084849828
-U,6.0,0.0,-12.683793105532022,0.0,1.0,1.0,12.683793105532022,-2.1139655175886705
-U,5.333333333333333,4.0,-37.05019087567893,-11.245232488562056,3.0,1.0,1.104831136664254,-0.8286233524981907
-U,5.333333333333333,0.0,-37.05019087567893,0.0,3.0,1.0,12.35006362522631,-2.3156369297299335
-U,4.0,0.0,-11.245232488562056,0.0,1.0,1.0,11.245232488562056,-2.811308122140514
diff --git a/jarvis_leaderboard/contributions/crystal_feature_model/element_cohesive_energies.csv b/jarvis_leaderboard/contributions/crystal_feature_model/element_cohesive_energies.csv
deleted file mode 100644
index 20add623a..000000000
--- a/jarvis_leaderboard/contributions/crystal_feature_model/element_cohesive_energies.csv
+++ /dev/null
@@ -1,91 +0,0 @@
-Element,Per Mole,Per Atom,Per Mole Unit,Per Atom Unit
-Ac,410.0,4.25,kJ/mol,eV/atom
-Al,327.0,3.39,kJ/mol,eV/atom
-Am,264.0,2.73,kJ/mol,eV/atom
-Sb,265.0,2.75,kJ/mol,eV/atom
-Ar,7.74,0.08,kJ/mol,eV/atom
-As,285.3,2.96,kJ/mol,eV/atom
-Ba,183.0,1.9,kJ/mol,eV/atom
-Be,320.0,3.32,kJ/mol,eV/atom
-Bi,210.0,2.18,kJ/mol,eV/atom
-B,561.0,5.81,kJ/mol,eV/atom
-Br,118.0,1.22,kJ/mol,eV/atom
-Cd,112.0,1.16,kJ/mol,eV/atom
-Ca,178.0,1.84,kJ/mol,eV/atom
-C,711.0,7.37,kJ/mol,eV/atom
-Ce,417.0,4.32,kJ/mol,eV/atom
-Cs,77.6,0.804,kJ/mol,eV/atom
-Cl,135.0,1.4,kJ/mol,eV/atom
-Cr,395.0,4.1,kJ/mol,eV/atom
-Co,424.0,4.39,kJ/mol,eV/atom
-Cu,336.0,3.49,kJ/mol,eV/atom
-Cm,385.0,3.99,kJ/mol,eV/atom
-Dy,294.0,3.04,kJ/mol,eV/atom
-Er,317.0,3.29,kJ/mol,eV/atom
-Eu,179.0,1.86,kJ/mol,eV/atom
-F,81.0,0.84,kJ/mol,eV/atom
-Gd,400.0,4.14,kJ/mol,eV/atom
-Ga,271.0,2.81,kJ/mol,eV/atom
-Ge,372.0,3.85,kJ/mol,eV/atom
-Au,368.0,3.81,kJ/mol,eV/atom
-Hf,621.0,6.44,kJ/mol,eV/atom
-Ho,302.0,3.14,kJ/mol,eV/atom
-In,243.0,2.52,kJ/mol,eV/atom
-I,107.0,1.11,kJ/mol,eV/atom
-Ir,670.0,6.94,kJ/mol,eV/atom
-Fe,413.0,4.28,kJ/mol,eV/atom
-Kr,11.2,0.116,kJ/mol,eV/atom
-La,431.0,4.47,kJ/mol,eV/atom
-Pb,196.0,2.03,kJ/mol,eV/atom
-Li,158.0,1.63,kJ/mol,eV/atom
-Lu,428.0,4.43,kJ/mol,eV/atom
-Mg,145.0,1.51,kJ/mol,eV/atom
-Mn,282.0,2.92,kJ/mol,eV/atom
-Hg,65.0,0.67,kJ/mol,eV/atom
-Mo,658.0,6.82,kJ/mol,eV/atom
-Nd,328.0,3.4,kJ/mol,eV/atom
-Ne,1.92,0.02,kJ/mol,eV/atom
-Np,456.0,4.73,kJ/mol,eV/atom
-Ni,428.0,4.44,kJ/mol,eV/atom
-Nb,730.0,7.57,kJ/mol,eV/atom
-N,474.0,4.92,kJ/mol,eV/atom
-Os,788.0,8.17,kJ/mol,eV/atom
-O,251.0,2.6,kJ/mol,eV/atom
-Pd,376.0,3.89,kJ/mol,eV/atom
-P,331.0,3.43,kJ/mol,eV/atom
-Pt,564.0,5.84,kJ/mol,eV/atom
-Pu,347.0,3.6,kJ/mol,eV/atom
-Po,144.0,1.5,kJ/mol,eV/atom
-K,90.1,0.934,kJ/mol,eV/atom
-Pr,357.0,3.7,kJ/mol,eV/atom
-Ra,160.0,1.66,kJ/mol,eV/atom
-Rn,19.5,0.202,kJ/mol,eV/atom
-Re,775.0,8.03,kJ/mol,eV/atom
-Rh,554.0,5.75,kJ/mol,eV/atom
-Rb,82.2,0.852,kJ/mol,eV/atom
-Ru,650.0,6.74,kJ/mol,eV/atom
-Sm,206.0,2.14,kJ/mol,eV/atom
-Sc,376.0,3.9,kJ/mol,eV/atom
-Se,237.0,2.46,kJ/mol,eV/atom
-Si,446.0,4.63,kJ/mol,eV/atom
-Ag,284.0,2.95,kJ/mol,eV/atom
-Na,107.0,1.113,kJ/mol,eV/atom
-Sr,166.0,1.72,kJ/mol,eV/atom
-S,275.0,2.85,kJ/mol,eV/atom
-Ta,782.0,8.1,kJ/mol,eV/atom
-Tc,661.0,6.85,kJ/mol,eV/atom
-Te,211.0,2.19,kJ/mol,eV/atom
-Tb,391.0,4.05,kJ/mol,eV/atom
-Tl,182.0,1.88,kJ/mol,eV/atom
-Th,598.0,6.2,kJ/mol,eV/atom
-Tm,233.0,2.42,kJ/mol,eV/atom
-Sn,303.0,3.14,kJ/mol,eV/atom
-Ti,468.0,4.85,kJ/mol,eV/atom
-W,859.0,8.9,kJ/mol,eV/atom
-U,536.0,5.55,kJ/mol,eV/atom
-V,512.0,5.31,kJ/mol,eV/atom
-Xe,15.9,0.16,kJ/mol,eV/atom
-Yb,154.0,1.6,kJ/mol,eV/atom
-Y,422.0,4.37,kJ/mol,eV/atom
-Zn,130.0,1.35,kJ/mol,eV/atom
-Zr,603.0,6.25,kJ/mol,eV/atom
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