{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10158","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10156","results":[{"id":"mp-1193975","created_at":"2022-09-04T14:44:23.267826Z","structure_string":"Pb12 Br4 O12\n1.0\n5.944496 0.000000 0.000000\n0.000000 7.105929 0.000000\n0.000000 0.000000 16.428558\nPb Br O\n12 4 12\ndirect\n0.500000 0.324800 0.179136 Pb\n0.500000 0.675200 0.679136 Pb\n0.500000 0.808147 0.110403 Pb\n0.500000 0.191853 0.610403 Pb\n0.500000 0.523252 0.434676 Pb\n0.500000 0.476748 0.934676 Pb\n0.000000 0.524848 0.079276 Pb\n0.000000 0.475152 0.579276 Pb\n0.000000 0.709006 0.281477 Pb\n0.000000 0.290994 0.781477 Pb\n0.000000 0.811609 0.908129 Pb\n0.000000 0.188391 0.408129 Pb\n0.000000 0.141895 0.106066 Br\n0.000000 0.858105 0.606066 Br\n0.500000 0.058055 0.830719 Br\n0.500000 0.941945 0.330719 Br\n0.240688 0.309985 0.508330 O\n0.759312 0.309985 0.508330 O\n0.759312 0.690015 0.008330 O\n0.240688 0.690015 0.008330 O\n0.243434 0.585808 0.175850 O\n0.756566 0.585808 0.175850 O\n0.756566 0.414192 0.675850 O\n0.243434 0.414192 0.675850 O\n0.000000 0.482507 0.369128 O\n0.000000 0.517493 0.869128 O\n0.500000 0.329308 0.047969 O\n0.500000 0.670692 0.547969 O\n","nsites":28,"nelements":3,"elements":["Pb","Br","O"],"chemical_system":"Br-O-Pb","density":7.173756849081707,"density_atomic":0.040348062322805085,"volume":693.9614541086438,"volume_molar":14.925476995201905,"formula_full":"Pb12 Br4 O12","formula_reduced":"Pb3BrO3","formula_anonymous":"AB3C3","energy":-145.61120902,"energy_per_atom":-5.2004003221428565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.36720902,"band_gap":0.6278000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034208,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.148000Z","spacegroup":26},{"id":"mp-631427","created_at":"2022-09-04T14:44:23.269593Z","structure_string":"Cu1 Ir1 Br1\n1.0\n0.000000 3.007195 3.007195\n3.007195 0.000000 3.007195\n3.007195 3.007195 0.000000\nCu Ir Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Br\n","nsites":3,"nelements":3,"elements":["Cu","Ir","Br"],"chemical_system":"Br-Cu-Ir","density":10.248091092227432,"density_atomic":0.05515774303106049,"volume":54.389462569391874,"volume_molar":10.91803331512097,"formula_full":"Cu1 Ir1 Br1","formula_reduced":"CuIrBr","formula_anonymous":"ABC","energy":-11.57456121,"energy_per_atom":-3.85818707,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.04056121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0686475,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.679000Z","spacegroup":216},{"id":"mp-1021383","created_at":"2022-09-04T14:44:23.272647Z","structure_string":"Rb1 Mg6 Ti1\n1.0\n6.900649 0.000000 0.000000\n0.000000 6.900649 0.000000\n0.000000 0.000000 4.462765\nRb Mg Ti\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.214570 0.785430 0.000000 Mg\n0.785430 0.214570 0.000000 Mg\n0.214570 0.214570 0.000000 Mg\n0.785430 0.785430 0.000000 Mg\n0.000000 0.000000 0.500000 Ti\n","nsites":8,"nelements":3,"elements":["Rb","Mg","Ti"],"chemical_system":"Mg-Rb-Ti","density":2.1813525443745228,"density_atomic":0.03764489527031255,"volume":212.51221294561407,"volume_molar":15.997230744719777,"formula_full":"Rb1 Mg6 Ti1","formula_reduced":"RbMg6Ti","formula_anonymous":"ABC6","energy":-16.10954091,"energy_per_atom":-2.01369261375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.10954091,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.105389,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.163000Z","spacegroup":123},{"id":"mp-1174173","created_at":"2022-09-04T14:44:23.275405Z","structure_string":"Li4 Mn3 Co1 O8\n1.0\n4.873676 0.000451 2.337089\n0.000158 5.698874 0.000788\n-0.037541 0.000760 5.455511\nLi Mn Co O\n4 3 1 8\ndirect\n0.500000 0.500005 0.499999 Li\n0.500000 0.000001 0.500000 Li\n0.499985 0.246874 0.000023 Li\n0.500014 0.753131 0.999977 Li\n0.000008 0.500005 0.000001 Mn\n0.999989 0.249187 0.500009 Mn\n0.000010 0.750826 0.499993 Mn\n0.999998 0.999993 0.000000 Co\n0.234515 0.500024 0.275109 O\n0.765481 0.499979 0.724893 O\n0.227772 0.000037 0.268045 O\n0.772226 0.999966 0.731957 O\n0.230333 0.246410 0.776297 O\n0.230323 0.753540 0.776234 O\n0.769669 0.246448 0.223770 O\n0.769676 0.753573 0.223692 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.145304941239406,"density_atomic":0.10524661004549933,"volume":152.02389885130756,"volume_molar":5.721933236041103,"formula_full":"Li4 Mn3 Co1 O8","formula_reduced":"Li4Mn3CoO8","formula_anonymous":"AB3C4D8","energy":-114.22055195,"energy_per_atom":-7.138784496875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.08255195,"band_gap":0.8424999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9978717,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.890000Z","spacegroup":10},{"id":"mp-625641","created_at":"2022-09-04T14:44:23.282127Z","structure_string":"H36 Br4 O16\n1.0\n7.022252 0.000000 0.000000\n2.916848 7.029293 0.000000\n0.080244 0.159068 11.545747\nH Br O\n36 4 16\ndirect\n0.844650 0.006336 0.255716 H\n0.651366 0.988420 0.321424 H\n0.361268 0.992662 0.830964 H\n0.150109 0.976144 0.764895 H\n0.206586 0.170967 0.746164 H\n0.027813 0.160132 0.180083 H\n0.165850 0.982159 0.258379 H\n0.993587 0.842563 0.689754 H\n0.971909 0.855823 0.832095 H\n0.459204 0.805588 0.187303 H\n0.371080 0.669938 0.250632 H\n0.543305 0.232915 0.676570 H\n0.719442 0.133971 0.763761 H\n0.367212 0.355144 0.307900 H\n0.169437 0.484624 0.232681 H\n0.648291 0.506370 0.784296 H\n0.878442 0.499317 0.733199 H\n0.635279 0.626571 0.662134 H\n0.871493 0.548370 0.156342 H\n0.844759 0.729986 0.240530 H\n0.123473 0.440800 0.647974 H\n0.158923 0.458782 0.786212 H\n0.647799 0.560237 0.441982 H\n0.808106 0.507688 0.326133 H\n0.830627 0.337989 0.435764 H\n0.373790 0.429205 0.904336 H\n0.193364 0.627827 0.929097 H\n0.369451 0.702561 0.543497 H\n0.496666 0.835854 0.533330 H\n0.423411 0.339846 0.137354 H\n0.640681 0.289742 0.044593 H\n0.510325 0.145789 0.040027 H\n0.956345 0.068621 0.501520 H\n0.104807 0.179395 0.493941 H\n0.037878 0.927544 0.029089 H\n0.873226 0.834571 0.015963 H\n0.054028 0.711808 0.519867 Br\n0.914885 0.318835 0.005370 Br\n0.435726 0.159295 0.480320 Br\n0.524214 0.881142 0.987454 Br\n0.738671 0.947108 0.251431 O\n0.272081 0.027425 0.758349 O\n0.028986 0.091287 0.253292 O\n0.974657 0.925663 0.759629 O\n0.393496 0.788720 0.259877 O\n0.592046 0.247166 0.754736 O\n0.325752 0.431427 0.235046 O\n0.711657 0.582570 0.740844 O\n0.912703 0.582994 0.231833 O\n0.090016 0.400951 0.725418 O\n0.729306 0.457174 0.386325 O\n0.271349 0.541011 0.866383 O\n0.513127 0.701880 0.549585 O\n0.497317 0.283072 0.053366 O\n0.961086 0.195119 0.513553 O\n0.017681 0.816131 0.999040 O\n","nsites":56,"nelements":3,"elements":["H","Br","O"],"chemical_system":"Br-H-O","density":1.7828464869694902,"density_atomic":0.09826026558138366,"volume":569.915007543087,"volume_molar":6.128764994037379,"formula_full":"H36 Br4 O16","formula_reduced":"H9BrO4","formula_anonymous":"AB4C9","energy":-273.50218546,"energy_per_atom":-4.883967597500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.37418546,"band_gap":4.17,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.416000Z","spacegroup":1},{"id":"mp-1247504","created_at":"2022-09-04T14:44:23.287150Z","structure_string":"Mg2 Cr2 Co2 S8\n1.0\n6.141655 -0.000528 3.545210\n2.045441 5.791760 3.547431\n-0.001638 0.001560 7.093264\nMg Cr Co S\n2 2 2 8\ndirect\n0.875402 0.874543 0.874558 Mg\n0.124604 0.125445 0.125458 Mg\n0.499983 0.500000 0.000007 Cr\n0.500006 0.000012 0.500004 Cr\n0.499997 0.500006 0.499991 Co\n0.000001 0.499996 0.500000 Co\n0.746829 0.729733 0.729734 S\n0.261083 0.279143 0.698680 S\n0.261098 0.698665 0.279131 S\n0.706281 0.270308 0.270271 S\n0.738900 0.301325 0.720842 S\n0.293728 0.729705 0.729703 S\n0.253176 0.270250 0.270291 S\n0.738916 0.720865 0.301331 S\n","nsites":14,"nelements":4,"elements":["Mg","Cr","Co","S"],"chemical_system":"Co-Cr-Mg-S","density":3.467976622168542,"density_atomic":0.05548222729002126,"volume":252.3330566168162,"volume_molar":10.854179895339405,"formula_full":"Mg2 Cr2 Co2 S8","formula_reduced":"MgCrCoS4","formula_anonymous":"ABCD4","energy":-84.28504306,"energy_per_atom":-6.020360218571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.26104306,"band_gap":0.5492999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999727,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.954000Z","spacegroup":74},{"id":"mp-1219980","created_at":"2022-09-04T14:44:23.334113Z","structure_string":"Pr2 Mn2 Ga2\n1.0\n-2.136530 3.231196 4.697986\n2.136530 -3.231196 4.697986\n2.136530 3.231196 -4.697986\nPr Mn Ga\n2 2 2\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.368047 0.250000 0.118047 Ga\n0.631953 0.750000 0.881953 Ga\n","nsites":6,"nelements":3,"elements":["Pr","Mn","Ga"],"chemical_system":"Ga-Mn-Pr","density":6.798482205642252,"density_atomic":0.046249521402605145,"volume":129.73107219358235,"volume_molar":13.020979628257914,"formula_full":"Pr2 Mn2 Ga2","formula_reduced":"PrMnGa","formula_anonymous":"ABC","energy":-34.32903111,"energy_per_atom":-5.721505185000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.32903111,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7083251,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.680000Z","spacegroup":74},{"id":"mp-556305","created_at":"2022-09-04T14:44:23.293204Z","structure_string":"Nd2 P2 H10 C2 O14\n1.0\n-6.715545 0.000000 0.000000\n-0.015304 -7.107420 0.000000\n0.867858 2.880551 7.313742\nNd P H C O\n2 2 10 2 14\ndirect\n0.870293 0.777488 0.065776 Nd\n0.129707 0.222512 0.934224 Nd\n0.324881 0.748109 0.981977 P\n0.675119 0.251891 0.018023 P\n0.475091 0.869844 0.586180 H\n0.716654 0.667201 0.641663 H\n0.528151 0.745349 0.390918 H\n0.524909 0.130156 0.413820 H\n0.283346 0.332799 0.358337 H\n0.831099 0.477004 0.672938 H\n0.629157 0.292640 0.197101 H\n0.168901 0.522996 0.327062 H\n0.471849 0.254651 0.609082 H\n0.370843 0.707360 0.802899 H\n0.062806 0.909091 0.501727 C\n0.937194 0.090909 0.498273 C\n0.818764 0.425187 0.024591 O\n0.836933 0.075776 0.348967 O\n0.522113 0.772200 0.105341 O\n0.583181 0.795705 0.519907 O\n0.477887 0.227800 0.894659 O\n0.214513 0.384109 0.266670 O\n0.944580 0.242065 0.647730 O\n0.181236 0.574813 0.975409 O\n0.197685 0.939752 0.036603 O\n0.163067 0.924224 0.651033 O\n0.802315 0.060248 0.963397 O\n0.055420 0.757935 0.352270 O\n0.785487 0.615891 0.733330 O\n0.416819 0.204295 0.480093 O\n","nsites":30,"nelements":5,"elements":["Nd","P","H","C","O"],"chemical_system":"C-H-Nd-O-P","density":2.894635438917828,"density_atomic":0.08593861989921515,"volume":349.0863599529829,"volume_molar":7.0074906567763,"formula_full":"Nd2 P2 H10 C2 O14","formula_reduced":"NdPH5CO7","formula_anonymous":"ABCD5E7","energy":-201.92945392,"energy_per_atom":-6.730981797333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.31145392,"band_gap":3.7309,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001411,"is_theoretical":false,"updated_at":"2021-11-28T01:36:29.622000Z","spacegroup":2},{"id":"mp-1182533","created_at":"2022-09-04T14:44:23.297595Z","structure_string":"Ca12 Al8 O48\n1.0\n-6.484497 6.484497 6.484497\n6.484497 -6.484497 6.484497\n6.484497 6.484497 -6.484497\nCa Al O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.250000 0.875000 0.625000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.045980 0.359815 0.923991 O\n0.935824 0.121988 0.576009 O\n0.564176 0.140185 0.186164 O\n0.454020 0.378012 0.313836 O\n0.359815 0.923991 0.045980 O\n0.121988 0.576009 0.935824 O\n0.140185 0.186164 0.564176 O\n0.378012 0.313836 0.454020 O\n0.923991 0.045980 0.359815 O\n0.576009 0.935824 0.121988 O\n0.186164 0.564176 0.140185 O\n0.313836 0.454020 0.378012 O\n0.954020 0.640185 0.076009 O\n0.064176 0.878012 0.423991 O\n0.435824 0.859815 0.813836 O\n0.545980 0.621988 0.686164 O\n0.640185 0.076009 0.954020 O\n0.878012 0.423991 0.064176 O\n0.859815 0.813836 0.435824 O\n0.621988 0.686164 0.545980 O\n0.076009 0.954020 0.640185 O\n0.423991 0.064176 0.878012 O\n0.813836 0.435824 0.859815 O\n0.686164 0.545980 0.621988 O\n0.545980 0.423991 0.859815 O\n0.435824 0.076009 0.621988 O\n0.064176 0.686164 0.640185 O\n0.954020 0.813836 0.878012 O\n0.859815 0.545980 0.423991 O\n0.621988 0.435824 0.076009 O\n0.640185 0.064176 0.686164 O\n0.878012 0.954020 0.813836 O\n0.423991 0.859815 0.545980 O\n0.076009 0.621988 0.435824 O\n0.686164 0.640185 0.064176 O\n0.813836 0.878012 0.954020 O\n0.454020 0.576009 0.140185 O\n0.564176 0.923991 0.378012 O\n0.935824 0.313836 0.359815 O\n0.045980 0.186164 0.121988 O\n0.140185 0.454020 0.576009 O\n0.378012 0.564176 0.923991 O\n0.359815 0.935824 0.313836 O\n0.121988 0.045980 0.186164 O\n0.576009 0.140185 0.454020 O\n0.923991 0.378012 0.564176 O\n0.313836 0.359815 0.935824 O\n0.186164 0.121988 0.045980 O\n","nsites":68,"nelements":3,"elements":["Ca","Al","O"],"chemical_system":"Al-Ca-O","density":2.230111366038054,"density_atomic":0.062347643055974976,"volume":1090.6587108505514,"volume_molar":9.658970996856118,"formula_full":"Ca12 Al8 O48","formula_reduced":"Ca3Al2O12","formula_anonymous":"A2B3C12","energy":-413.44393481,"energy_per_atom":-6.08005786485294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-380.46793481,"band_gap":0.8159000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":47.9998009,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.295000Z","spacegroup":230},{"id":"mp-1095151","created_at":"2022-09-04T14:44:23.304303Z","structure_string":"Ba2 Cd2 As2 F2\n1.0\n4.483155 0.000000 0.000000\n0.000000 4.483155 0.000000\n0.000000 0.000000 9.653355\nBa Cd As F\n2 2 2 2\ndirect\n0.000000 0.500000 0.845079 Ba\n0.500000 0.000000 0.154921 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.321944 As\n0.500000 0.000000 0.678056 As\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":8,"nelements":4,"elements":["Ba","Cd","As","F"],"chemical_system":"As-Ba-Cd-F","density":5.882470652399688,"density_atomic":0.041232930375779006,"volume":194.01968104356098,"volume_molar":14.60517286818285,"formula_full":"Ba2 Cd2 As2 F2","formula_reduced":"BaCdAsF","formula_anonymous":"ABCD","energy":-34.51307646,"energy_per_atom":-4.3141345575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.58907646,"band_gap":0.9586,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0040158,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.958000Z","spacegroup":129},{"id":"mp-1036470","created_at":"2022-09-04T14:44:23.317378Z","structure_string":"Hf1 Mg14 Al1 O16\n1.0\n4.296508 0.000000 0.000000\n0.000000 8.630418 0.000000\n0.000000 0.000000 8.649050\nHf Mg Al O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.755067 0.000000 Mg\n0.500000 0.244933 0.000000 Mg\n0.500000 0.750253 0.500000 Mg\n0.500000 0.249747 0.500000 Mg\n0.500000 0.000000 0.747883 Mg\n0.500000 0.500000 0.742599 Mg\n0.500000 0.000000 0.252117 Mg\n0.500000 0.500000 0.257401 Mg\n0.000000 0.750042 0.746948 Mg\n0.000000 0.249958 0.746948 Mg\n0.000000 0.750042 0.253052 Mg\n0.000000 0.249958 0.253052 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.762314 O\n0.000000 0.500000 0.735594 O\n0.000000 0.000000 0.237686 O\n0.000000 0.500000 0.264406 O\n0.500000 0.751085 0.749171 O\n0.500000 0.248915 0.749171 O\n0.500000 0.751085 0.250829 O\n0.500000 0.248915 0.250829 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.781995 0.000000 O\n0.000000 0.218005 0.000000 O\n0.000000 0.754703 0.500000 O\n0.000000 0.245297 0.500000 O\n","nsites":32,"nelements":4,"elements":["Hf","Mg","Al","O"],"chemical_system":"Al-Hf-Mg-O","density":4.151092579376454,"density_atomic":0.09977784394355337,"volume":320.7124822029943,"volume_molar":6.035549097860708,"formula_full":"Hf1 Mg14 Al1 O16","formula_reduced":"HfMg14AlO16","formula_anonymous":"ABC14D16","energy":-206.60876983,"energy_per_atom":-6.4565240571875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.61676983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1409729,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.130000Z","spacegroup":47},{"id":"mp-924130","created_at":"2022-09-04T14:44:23.320103Z","structure_string":"Ti1 Ni1 Sn1\n1.0\n0.000000 2.957511 2.957511\n2.957511 0.000000 2.957511\n2.957511 2.957511 0.000000\nTi Ni Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sn\n","nsites":3,"nelements":3,"elements":["Ti","Ni","Sn"],"chemical_system":"Ni-Sn-Ti","density":7.23009703881482,"density_atomic":0.057984531600133116,"volume":51.737936260109635,"volume_molar":10.385771159676274,"formula_full":"Ti1 Ni1 Sn1","formula_reduced":"TiNiSn","formula_anonymous":"ABC","energy":-19.27344919,"energy_per_atom":-6.424483063333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.27344919,"band_gap":0.4527000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.042000Z","spacegroup":216}]}