{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=2","previous":null,"results":[{"id":"mp-1184502","created_at":"2022-09-04T14:42:39.769064Z","structure_string":"In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n","nsites":3,"nelements":1,"elements":["In"],"chemical_system":"In","density":7.020315339450969,"density_atomic":0.03682116668847311,"volume":81.47487626835985,"volume_molar":16.355105776388218,"formula_full":"In3","formula_reduced":"In","formula_anonymous":"A","energy":-8.25505119,"energy_per_atom":-2.75168373,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.25505119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.063000Z","spacegroup":166},{"id":"mp-998881","created_at":"2022-09-04T14:42:23.500908Z","structure_string":"K1\n1.0\n4.323110 0.000000 0.000000\n0.000000 4.323110 0.000000\n0.000000 0.000000 4.323110\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n","nsites":1,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.803559636532303,"density_atomic":0.012376878897354294,"volume":80.79581357249621,"volume_molar":48.656376215229066,"formula_full":"K1","formula_reduced":"K","formula_anonymous":"A","energy":-0.99023383,"energy_per_atom":-0.99023383,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.99023383,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042771,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.947000Z","spacegroup":221},{"id":"mp-1057818","created_at":"2022-09-04T14:42:24.625342Z","structure_string":"O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.7000663693942357,"density_atomic":0.1016299345191283,"volume":19.679241253703353,"volume_molar":5.925558043990024,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy":-6.13423966,"energy_per_atom":-3.06711983,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.13423966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008017,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.200000Z","spacegroup":227},{"id":"mp-1187717","created_at":"2022-09-04T14:42:25.805838Z","structure_string":"Y4\n1.0\n1.794548 -3.108248 0.000000\n1.794548 3.108248 0.000000\n0.000000 0.000000 11.595924\nY\n4\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.750000 Y\n","nsites":4,"nelements":1,"elements":["Y"],"chemical_system":"Y","density":4.5649216634867065,"density_atomic":0.030921025810326838,"volume":129.36181433748234,"volume_molar":19.47587637273262,"formula_full":"Y4","formula_reduced":"Y","formula_anonymous":"A","energy":-25.83815292,"energy_per_atom":-6.45953823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.83815292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0325619,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.798000Z","spacegroup":194},{"id":"mp-1064307","created_at":"2022-09-04T14:42:21.845053Z","structure_string":"Te4\n1.0\n3.107127 0.000000 0.000000\n0.000000 5.247562 0.000000\n0.000000 0.000000 8.299455\nTe\n4\ndirect\n0.237769 0.795716 0.109852 Te\n0.762231 0.704284 0.609852 Te\n0.237769 0.204284 0.890148 Te\n0.762231 0.295716 0.390148 Te\n","nsites":4,"nelements":1,"elements":["Te"],"chemical_system":"Te","density":6.263161426196037,"density_atomic":0.029559278780712617,"volume":135.32129892864617,"volume_molar":20.37309774935861,"formula_full":"Te4","formula_reduced":"Te","formula_anonymous":"A","energy":-12.08209739,"energy_per_atom":-3.0205243475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.08209739,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0114013,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.531000Z","spacegroup":18},{"id":"mp-1067793","created_at":"2022-09-04T14:42:21.560607Z","structure_string":"F4\n1.0\n1.628935 2.634576 0.000000\n-1.628935 2.634576 0.000000\n0.000000 0.929068 5.450456\nF\n4\ndirect\n0.234385 0.280933 0.706899 F\n0.719067 0.765615 0.793101 F\n0.765615 0.719067 0.293101 F\n0.280933 0.234385 0.206899 F\n","nsites":4,"nelements":1,"elements":["F"],"chemical_system":"F","density":2.6974218392729252,"density_atomic":0.08550325961506765,"volume":46.78184221289158,"volume_molar":7.043170970453575,"formula_full":"F4","formula_reduced":"F","formula_anonymous":"A","energy":-6.53697971,"energy_per_atom":-1.6342449275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.53697971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005249,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.688000Z","spacegroup":15},{"id":"mp-1008681","created_at":"2022-09-04T14:42:19.616764Z","structure_string":"Sc1\n1.0\n2.989426 0.000000 0.000000\n0.000000 2.989426 0.000000\n0.000000 0.000000 2.989426\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n","nsites":1,"nelements":1,"elements":["Sc"],"chemical_system":"Sc","density":2.7942965058753915,"density_atomic":0.03743144369837954,"volume":26.715507103010598,"volume_molar":16.088454424910964,"formula_full":"Sc1","formula_reduced":"Sc","formula_anonymous":"A","energy":-5.61301517,"energy_per_atom":-5.61301517,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.61301517,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9076781,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.836000Z","spacegroup":221},{"id":"mp-23157","created_at":"2022-09-04T14:42:16.611104Z","structure_string":"Bi2\n1.0\n3.132578 3.488598 0.000000\n-3.132578 3.488598 0.000000\n0.000000 1.260235 3.113550\nBi\n2\ndirect\n0.753061 0.753061 0.142618 Bi\n0.246939 0.246939 0.857382 Bi\n","nsites":2,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":10.198727503087682,"density_atomic":0.029389441602036444,"volume":68.05165021785976,"volume_molar":20.490830828111807,"formula_full":"Bi2","formula_reduced":"Bi","formula_anonymous":"A","energy":-7.67946817,"energy_per_atom":-3.839734085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.67946817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003114,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.233000Z","spacegroup":12},{"id":"mp-1187769","created_at":"2022-09-04T14:42:17.607817Z","structure_string":"Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n","nsites":3,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.7706304386431087,"density_atomic":0.012708313848579412,"volume":236.06593571304916,"volume_molar":47.387409783503095,"formula_full":"Xe3","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.1020993,"energy_per_atom":-0.034033100000000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.1020993,"band_gap":6.2294,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0023449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.185000Z","spacegroup":166},{"id":"mp-150","created_at":"2022-09-04T14:42:22.008490Z","structure_string":"Fe1\n1.0\n0.000000 1.822850 1.822850\n1.822850 0.000000 1.822850\n1.822850 1.822850 0.000000\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n","nsites":1,"nelements":1,"elements":["Fe"],"chemical_system":"Fe","density":7.655095258003984,"density_atomic":0.08255002451578422,"volume":12.113866783998253,"volume_molar":7.2951410921126,"formula_full":"Fe1","formula_reduced":"Fe","formula_anonymous":"A","energy":-8.32165671,"energy_per_atom":-8.32165671,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.32165671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5341127,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.725000Z","spacegroup":225},{"id":"mp-1009460","created_at":"2022-09-04T14:42:17.080322Z","structure_string":"Hf3\n1.0\n2.501815 -4.333271 0.000000\n2.501815 4.333271 0.000000\n0.000000 0.000000 3.087349\nHf\n3\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n","nsites":3,"nelements":1,"elements":["Hf"],"chemical_system":"Hf","density":13.283039920168068,"density_atomic":0.0448161444045016,"volume":66.94016274409054,"volume_molar":13.437436084740705,"formula_full":"Hf3","formula_reduced":"Hf","formula_anonymous":"A","energy":-29.736056940000005,"energy_per_atom":-9.912018980000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.736056940000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008725,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.910000Z","spacegroup":191},{"id":"mp-1181019","created_at":"2022-09-04T14:42:40.317045Z","structure_string":"Mo16\n1.0\n9.977238 0.000000 -1.359100\n0.000000 5.193482 0.000000\n0.000242 0.000000 5.039277\nMo\n16\ndirect\n0.562674 0.517640 0.978099 Mo\n0.437326 0.017640 0.021901 Mo\n0.562032 0.265783 0.479234 Mo\n0.437968 0.765783 0.520766 Mo\n0.808219 0.291268 0.366545 Mo\n0.191781 0.791268 0.633455 Mo\n0.809040 0.472261 0.864110 Mo\n0.190960 0.972261 0.135890 Mo\n0.686775 0.775506 0.428418 Mo\n0.313225 0.275506 0.571582 Mo\n0.935572 0.831401 0.317134 Mo\n0.064428 0.331401 0.682866 Mo\n0.936123 0.927469 0.816913 Mo\n0.063877 0.427469 0.183087 Mo\n0.688477 0.998674 0.925124 Mo\n0.311523 0.498674 0.074876 Mo\n","nsites":16,"nelements":1,"elements":["Mo"],"chemical_system":"Mo","density":9.761774227467827,"density_atomic":0.06127452416663223,"volume":261.1199387936331,"volume_molar":9.82813141661152,"formula_full":"Mo16","formula_reduced":"Mo","formula_anonymous":"A","energy":-168.21900165,"energy_per_atom":-10.513687603125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.21900165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004413,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.254000Z","spacegroup":4}]}