{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=12137","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=12135","results":[{"id":"mp-1025039","created_at":"2022-09-04T14:41:34.443678Z","structure_string":"Pb2 S4\n1.0\n-3.087974 3.087974 3.818847\n3.087974 -3.087974 3.818847\n3.087974 3.087974 -3.818847\nPb S\n2 4\ndirect\n0.750000 0.750000 0.000000 Pb\n0.250000 0.250000 0.000000 Pb\n0.119362 0.619362 0.738723 S\n0.880638 0.380638 0.261277 S\n0.619362 0.880638 0.500000 S\n0.380638 0.119362 0.500000 S\n","nsites":6,"nelements":2,"elements":["Pb","S"],"chemical_system":"Pb-S","density":6.186391317200678,"density_atomic":0.0411918910420878,"volume":145.65973661829466,"volume_molar":14.619723949664946,"formula_full":"Pb2 S4","formula_reduced":"PbS2","formula_anonymous":"AB2","energy":-27.70648197,"energy_per_atom":-4.617746995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.69448197,"band_gap":0.0830000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.760000Z","spacegroup":140},{"id":"mp-752550","created_at":"2022-09-04T14:41:34.443880Z","structure_string":"Li12 Ni4 O4 F12\n1.0\n-0.000001 -2.057319 -2.057326\n16.635311 2.057315 -2.057307\n-0.000001 -4.114620 4.114634\nLi Ni O F\n12 4 4 12\ndirect\n0.000070 0.250000 0.624964 Li\n0.000070 0.750000 0.874964 Li\n0.000070 0.250000 0.124964 Li\n0.000070 0.750000 0.374964 Li\n0.500055 0.125703 0.312823 Li\n0.500055 0.625703 0.562823 Li\n0.500055 0.125703 0.812823 Li\n0.500055 0.625703 0.062823 Li\n0.500054 0.374296 0.437120 Li\n0.500054 0.874296 0.687120 Li\n0.500054 0.374296 0.937120 Li\n0.500054 0.874296 0.187120 Li\n0.999790 0.000002 0.000111 Ni\n0.999790 0.500002 0.250111 Ni\n0.999790 0.000002 0.500111 Ni\n0.999790 0.500002 0.750111 Ni\n0.499887 0.500000 0.500058 O\n0.499887 0.000000 0.750058 O\n0.499887 0.500000 0.000058 O\n0.499887 0.000000 0.250058 O\n0.500026 0.249999 0.374986 F\n0.500026 0.749999 0.624986 F\n0.500026 0.249999 0.874986 F\n0.500026 0.749999 0.124986 F\n0.000061 0.129881 0.564909 F\n0.000061 0.629881 0.814909 F\n0.000061 0.129881 0.064909 F\n0.000061 0.629881 0.314909 F\n0.000057 0.370118 0.685028 F\n0.000057 0.870118 0.935028 F\n0.000057 0.370118 0.185028 F\n0.000057 0.870118 0.435028 F\n","nsites":32,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":3.596801994408232,"density_atomic":0.11362037644611064,"volume":281.6396231108896,"volume_molar":5.300229543647269,"formula_full":"Li12 Ni4 O4 F12","formula_reduced":"Li3NiOF3","formula_anonymous":"ABC3D3","energy":-172.96964548,"energy_per_atom":-5.40530142125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.51364548,"band_gap":1.9121,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.378000Z","spacegroup":123},{"id":"mp-1028198","created_at":"2022-09-04T14:41:34.499292Z","structure_string":"Y1 Mg14 Al1\n1.0\n6.431885 -0.000000 -0.000000\n-3.215943 5.570175 0.000000\n-0.000000 -0.000000 10.341334\nY Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Y\n0.163706 0.831853 0.125000 Mg\n0.175630 0.837815 0.625000 Mg\n0.668147 0.336294 0.125000 Mg\n0.662185 0.324370 0.625000 Mg\n0.668147 0.831853 0.125000 Mg\n0.662185 0.837815 0.625000 Mg\n0.332218 0.167782 0.368531 Mg\n0.332218 0.167782 0.881469 Mg\n0.332218 0.664437 0.368531 Mg\n0.332218 0.664437 0.881469 Mg\n0.835563 0.167782 0.368531 Mg\n0.835563 0.167782 0.881469 Mg\n0.833333 0.666667 0.381233 Mg\n0.833333 0.666667 0.868767 Mg\n0.166667 0.333333 0.125000 Al\n","nsites":16,"nelements":3,"elements":["Y","Mg","Al"],"chemical_system":"Al-Mg-Y","density":2.044467144591921,"density_atomic":0.04318533641546758,"volume":370.4961296600973,"volume_molar":13.944874024051982,"formula_full":"Y1 Mg14 Al1","formula_reduced":"YMg14Al","formula_anonymous":"ABC14","energy":-32.61877008,"energy_per_atom":-2.03867313,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.61877008,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001947,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.790000Z","spacegroup":187},{"id":"mp-21322","created_at":"2022-09-04T14:41:34.507768Z","structure_string":"V2 Pb3 O8\n1.0\n6.963847 -2.906597 0.000000\n6.963847 2.906597 0.000000\n5.750681 0.000000 4.886015\nV Pb O\n2 3 8\ndirect\n0.595523 0.595523 0.595523 V\n0.404477 0.404477 0.404477 V\n0.799108 0.799108 0.799108 Pb\n0.200892 0.200892 0.200892 Pb\n0.000000 0.000000 0.000000 Pb\n0.680409 0.680409 0.680409 O\n0.319591 0.319591 0.319591 O\n0.731888 0.731888 0.237828 O\n0.237828 0.731888 0.731888 O\n0.731888 0.237828 0.731888 O\n0.762172 0.268112 0.268112 O\n0.268112 0.268112 0.762172 O\n0.268112 0.762172 0.268112 O\n","nsites":13,"nelements":3,"elements":["V","Pb","O"],"chemical_system":"O-Pb-V","density":7.148316900536747,"density_atomic":0.06572408050270044,"volume":197.79660514939974,"volume_molar":9.162761523537123,"formula_full":"V2 Pb3 O8","formula_reduced":"V2Pb3O8","formula_anonymous":"A2B3C8","energy":-95.33350249,"energy_per_atom":-7.333346345384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.43750249,"band_gap":2.8407000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033751,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.521000Z","spacegroup":166},{"id":"mp-756050","created_at":"2022-09-04T14:41:34.513479Z","structure_string":"Ta4 Cu4 O12\n1.0\n4.306005 4.787548 0.000000\n-4.306005 4.787548 0.000000\n0.000000 0.027712 6.823192\nTa Cu O\n4 4 12\ndirect\n0.747146 0.747146 0.233797 Ta\n0.799675 0.200325 0.000000 Ta\n0.200325 0.799675 0.000000 Ta\n0.252854 0.252854 0.766204 Ta\n0.777465 0.777465 0.707947 Cu\n0.842886 0.157114 0.500000 Cu\n0.157114 0.842886 0.500000 Cu\n0.222535 0.222535 0.292053 Cu\n0.870767 0.870767 0.944953 O\n0.677642 0.677642 0.483358 O\n0.789574 0.469194 0.111387 O\n0.469194 0.789574 0.111387 O\n0.932989 0.261968 0.740490 O\n0.261968 0.932989 0.740490 O\n0.067011 0.738032 0.259510 O\n0.738032 0.067011 0.259510 O\n0.210426 0.530806 0.888613 O\n0.530806 0.210426 0.888613 O\n0.322358 0.322358 0.516642 O\n0.129233 0.129233 0.055047 O\n","nsites":20,"nelements":3,"elements":["Ta","Cu","O"],"chemical_system":"Cu-O-Ta","density":6.905862719148174,"density_atomic":0.07109265553159354,"volume":281.3230122078083,"volume_molar":8.4708338927131,"formula_full":"Ta4 Cu4 O12","formula_reduced":"TaCuO3","formula_anonymous":"ABC3","energy":-173.29738218,"energy_per_atom":-8.664869109,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.05338217999997,"band_gap":1.3594,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009595,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.404000Z","spacegroup":12},{"id":"mp-1196342","created_at":"2022-09-04T14:41:34.346786Z","structure_string":"Fe8 P4 N6 O16 F18\n1.0\n14.681189 0.000000 0.000000\n0.000000 7.261438 0.000000\n0.000000 2.131059 7.305664\nFe P N O F\n8 4 6 16 18\ndirect\n0.621814 0.821832 0.684757 Fe\n0.121814 0.178168 0.315243 Fe\n0.378186 0.178168 0.315243 Fe\n0.878186 0.821832 0.684757 Fe\n0.750000 0.475605 0.057982 Fe\n0.250000 0.524395 0.942018 Fe\n0.750000 0.981882 0.040646 Fe\n0.250000 0.018118 0.959354 Fe\n0.602799 0.151929 0.290816 P\n0.102799 0.848071 0.709184 P\n0.397201 0.848071 0.709184 P\n0.897201 0.151929 0.290816 P\n0.496773 0.697525 0.200352 N\n0.996773 0.302475 0.799648 N\n0.503227 0.302475 0.799648 N\n0.003227 0.697525 0.200352 N\n0.750000 0.432019 0.543887 N\n0.250000 0.567981 0.456113 N\n0.653794 0.346013 0.238830 O\n0.153794 0.653987 0.761170 O\n0.346206 0.653987 0.761170 O\n0.846206 0.346013 0.238830 O\n0.505611 0.185893 0.208440 O\n0.005611 0.814107 0.791560 O\n0.494389 0.814107 0.791560 O\n0.994389 0.185893 0.208440 O\n0.597331 0.077151 0.500784 O\n0.097331 0.922849 0.499216 O\n0.402669 0.922849 0.499216 O\n0.902669 0.077151 0.500784 O\n0.650593 0.005103 0.210417 O\n0.150593 0.994897 0.789583 O\n0.349407 0.994897 0.789583 O\n0.849407 0.005103 0.210417 O\n0.588884 0.667228 0.543174 F\n0.088884 0.332772 0.456826 F\n0.411116 0.332772 0.456826 F\n0.911116 0.667228 0.543174 F\n0.750000 0.837390 0.605940 F\n0.250000 0.162610 0.394060 F\n0.657928 0.969965 0.858865 F\n0.157928 0.030035 0.141135 F\n0.342072 0.030035 0.141135 F\n0.842072 0.969965 0.858865 F\n0.750000 0.263733 0.943996 F\n0.250000 0.736267 0.056004 F\n0.653728 0.591448 0.887959 F\n0.153728 0.408552 0.112041 F\n0.346272 0.408552 0.112041 F\n0.846272 0.591448 0.887959 F\n0.750000 0.702080 0.148635 F\n0.250000 0.297920 0.851365 F\n","nsites":52,"nelements":5,"elements":["Fe","P","N","O","F"],"chemical_system":"F-Fe-N-O-P","density":2.670777302537685,"density_atomic":0.06676668072349544,"volume":778.8315883988676,"volume_molar":9.019679718600699,"formula_full":"Fe8 P4 N6 O16 F18","formula_reduced":"Fe4P2N3O8F9","formula_anonymous":"A2B3C4D8E9","energy":-325.61985713,"energy_per_atom":-6.261920329423077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.26385713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":52.0052881,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.240000Z","spacegroup":11},{"id":"mp-979057","created_at":"2022-09-04T14:41:34.370730Z","structure_string":"Sm2 Zn1 Ag1\n1.0\n0.000000 3.684825 3.684825\n3.684825 0.000000 3.684825\n3.684825 3.684825 0.000000\nSm Zn Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Sm","Zn","Ag"],"chemical_system":"Ag-Sm-Zn","density":7.865824939657038,"density_atomic":0.03997416440139557,"volume":100.06463074085804,"volume_molar":15.065082285471757,"formula_full":"Sm2 Zn1 Ag1","formula_reduced":"Sm2ZnAg","formula_anonymous":"ABC2","energy":-14.72075715,"energy_per_atom":-3.6801892875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.72075715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0144206,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.190000Z","spacegroup":225},{"id":"mp-1247405","created_at":"2022-09-04T14:41:34.380369Z","structure_string":"Sr4 Os4 N8\n1.0\n6.455042 0.000000 0.390458\n0.000000 7.750998 0.000000\n-2.013771 0.000000 4.787746\nSr Os N\n4 4 8\ndirect\n0.326733 0.903281 0.665817 Sr\n0.673267 0.403281 0.834183 Sr\n0.673267 0.096719 0.334183 Sr\n0.326733 0.596719 0.165817 Sr\n0.124344 0.336082 0.537656 Os\n0.875656 0.836082 0.962344 Os\n0.875656 0.663918 0.462344 Os\n0.124344 0.163918 0.037656 Os\n0.191831 0.909218 0.100332 N\n0.808169 0.409218 0.399668 N\n0.808169 0.090782 0.899668 N\n0.191831 0.590782 0.600332 N\n0.317523 0.302307 0.930326 N\n0.682477 0.802307 0.569674 N\n0.682477 0.697693 0.069674 N\n0.317523 0.197693 0.430326 N\n","nsites":16,"nelements":3,"elements":["Sr","Os","N"],"chemical_system":"N-Os-Sr","density":8.270611596505915,"density_atomic":0.0651359884479923,"volume":245.63993548321093,"volume_molar":9.245489173482595,"formula_full":"Sr4 Os4 N8","formula_reduced":"SrOsN2","formula_anonymous":"ABC2","energy":-123.80446208,"energy_per_atom":-7.73777888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.91646208,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.062000Z","spacegroup":14},{"id":"mp-1078753","created_at":"2022-09-04T14:41:34.380870Z","structure_string":"Li4 Tl4\n1.0\n2.591631 -4.488837 0.000000\n2.591631 4.488837 0.000000\n0.000000 0.000000 8.672592\nLi Tl\n4 4\ndirect\n0.333333 0.666667 0.417499 Li\n0.666667 0.333333 0.582501 Li\n0.666667 0.333333 0.917499 Li\n0.333333 0.666667 0.082501 Li\n0.000000 0.000000 0.250000 Tl\n0.000000 0.000000 0.750000 Tl\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n","nsites":8,"nelements":2,"elements":["Li","Tl"],"chemical_system":"Li-Tl","density":6.956208888749542,"density_atomic":0.03964642882857262,"volume":201.7836217882634,"volume_molar":15.189617168394062,"formula_full":"Li4 Tl4","formula_reduced":"LiTl","formula_anonymous":"AB","energy":-17.51376993,"energy_per_atom":-2.18922124125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.51376993,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013984,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.344000Z","spacegroup":194},{"id":"mp-23872","created_at":"2022-09-04T14:41:34.383777Z","structure_string":"Ca6 Al4 H12 S2 O16 F16\n1.0\n4.351522 7.052728 0.000000\n-4.351522 7.052728 0.000000\n0.000000 0.613823 10.086553\nCa Al H S O F\n6 4 12 2 16 16\ndirect\n0.029827 0.970173 0.750000 Ca\n0.970173 0.029827 0.250000 Ca\n0.971998 0.534192 0.693096 Ca\n0.465808 0.028002 0.806904 Ca\n0.028002 0.465808 0.306904 Ca\n0.534192 0.971998 0.193096 Ca\n0.302681 0.100728 0.487022 Al\n0.899272 0.697319 0.012978 Al\n0.100728 0.302681 0.987022 Al\n0.697319 0.899272 0.512978 Al\n0.768491 0.492341 0.925961 H\n0.507659 0.231509 0.574039 H\n0.231509 0.507659 0.074039 H\n0.492341 0.768491 0.425961 H\n0.314551 0.578286 0.631462 H\n0.421714 0.685449 0.868538 H\n0.685449 0.421714 0.368538 H\n0.578286 0.314551 0.131462 H\n0.177032 0.696523 0.523113 H\n0.303477 0.822968 0.976887 H\n0.822968 0.303477 0.476887 H\n0.696523 0.177032 0.023113 H\n0.344931 0.655069 0.250000 S\n0.655069 0.344931 0.750000 S\n0.882010 0.502121 0.936188 O\n0.497879 0.117990 0.563812 O\n0.117990 0.497879 0.063812 O\n0.502121 0.882010 0.436188 O\n0.186048 0.667961 0.618759 O\n0.332039 0.813952 0.881241 O\n0.813952 0.332039 0.381241 O\n0.667961 0.186048 0.118759 O\n0.594762 0.479260 0.855708 O\n0.319304 0.834636 0.189680 O\n0.405238 0.520740 0.144292 O\n0.479260 0.594762 0.355708 O\n0.834636 0.319304 0.689680 O\n0.680696 0.165364 0.810320 O\n0.165364 0.680696 0.310320 O\n0.520740 0.405238 0.644292 O\n0.021855 0.258240 0.152030 F\n0.677112 0.795008 0.678561 F\n0.795008 0.677112 0.178561 F\n0.322888 0.204992 0.321439 F\n0.135998 0.333728 0.523622 F\n0.666272 0.864002 0.976378 F\n0.864002 0.666272 0.476378 F\n0.333728 0.135998 0.023622 F\n0.044461 0.137043 0.922432 F\n0.862957 0.955539 0.577568 F\n0.955539 0.862957 0.077568 F\n0.137043 0.044461 0.422432 F\n0.978145 0.741760 0.847970 F\n0.258240 0.021855 0.652030 F\n0.741760 0.978145 0.347970 F\n0.204992 0.322888 0.821439 F\n","nsites":56,"nelements":6,"elements":["Ca","Al","H","S","O","F"],"chemical_system":"Al-Ca-F-H-O-S","density":2.640772011732302,"density_atomic":0.09045174257167725,"volume":619.1146616730304,"volume_molar":6.657849355669224,"formula_full":"Ca6 Al4 H12 S2 O16 F16","formula_reduced":"Ca3Al2H6S(OF)8","formula_anonymous":"AB2C3D6E8F8","energy":-344.60661874,"energy_per_atom":-6.1536896203571425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.22261874,"band_gap":5.7404,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059518,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.394000Z","spacegroup":15},{"id":"mp-1520627","created_at":"2022-09-04T14:41:34.383634Z","structure_string":"Sr1 Nd1 V4 O12\n1.0\n0.000000 3.782098 3.783220\n0.000000 -3.782098 3.783220\n7.563544 0.000000 0.000000\nSr Nd V O\n1 1 4 12\ndirect\n0.996543 0.996543 0.500000 Sr\n0.505574 0.505574 0.000000 Nd\n0.500055 0.000195 0.748504 V\n0.500055 0.000195 0.251496 V\n0.000195 0.500055 0.251496 V\n0.000195 0.500055 0.748504 V\n0.761234 0.238363 0.754902 O\n0.238363 0.761234 0.754902 O\n0.238363 0.761234 0.245098 O\n0.761234 0.238363 0.245098 O\n0.732039 0.732039 0.738125 O\n0.269125 0.269125 0.770451 O\n0.269125 0.269125 0.229549 O\n0.732039 0.732039 0.261875 O\n0.514833 0.978846 0.000000 O\n0.485960 0.015822 0.500000 O\n0.978846 0.514833 0.000000 O\n0.015822 0.485960 0.500000 O\n","nsites":18,"nelements":4,"elements":["Sr","Nd","V","O"],"chemical_system":"Nd-O-Sr-V","density":4.815004722557634,"density_atomic":0.08316159244051408,"volume":216.44607169921014,"volume_molar":7.241492837342755,"formula_full":"Sr1 Nd1 V4 O12","formula_reduced":"SrNdV4O12","formula_anonymous":"ABC4D12","energy":-149.62877475000002,"energy_per_atom":-8.312709708333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.58477475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999867,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.193000Z","spacegroup":38},{"id":"mp-1227148","created_at":"2022-09-04T14:41:34.388578Z","structure_string":"Ca6 Ge7 Au15\n1.0\n4.554732 0.000000 0.000000\n0.000000 9.584677 0.000000\n0.000000 0.147903 13.429480\nCa Ge Au\n6 7 15\ndirect\n0.500000 0.999332 0.188737 Ca\n0.500000 0.000184 0.811183 Ca\n0.000000 0.494719 0.311876 Ca\n0.000000 0.500922 0.690382 Ca\n0.000000 0.498339 0.998723 Ca\n0.500000 0.006418 0.499435 Ca\n0.500000 0.350175 0.179671 Ge\n0.500000 0.649107 0.817845 Ge\n0.000000 0.849311 0.317749 Ge\n0.000000 0.145477 0.685999 Ge\n0.500000 0.728721 0.626489 Ge\n0.000000 0.777086 0.124068 Ge\n0.000000 0.219850 0.875371 Ge\n0.500000 0.737407 0.359176 Au\n0.500000 0.259706 0.639414 Au\n0.000000 0.238760 0.137665 Au\n0.000000 0.757853 0.858552 Au\n0.500000 0.383640 0.839913 Au\n0.500000 0.614148 0.159440 Au\n0.000000 0.883741 0.657919 Au\n0.000000 0.110616 0.341133 Au\n0.500000 0.504644 0.508950 Au\n0.000000 0.998921 0.999828 Au\n0.500000 0.205452 0.004574 Au\n0.500000 0.799354 0.996140 Au\n0.000000 0.701421 0.495099 Au\n0.000000 0.297791 0.505622 Au\n0.500000 0.286904 0.369048 Au\n","nsites":28,"nelements":3,"elements":["Ca","Ge","Au"],"chemical_system":"Au-Ca-Ge","density":10.489521317440573,"density_atomic":0.04775936286638947,"volume":586.2724776779828,"volume_molar":12.609340658181324,"formula_full":"Ca6 Ge7 Au15","formula_reduced":"Ca6Ge7Au15","formula_anonymous":"A6B7C15","energy":-107.69868474,"energy_per_atom":-3.846381597857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.69868474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046899,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.897000Z","spacegroup":6}]}