{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10180","results":[{"id":"mp-1216646","created_at":"2022-09-04T14:44:11.542908Z","structure_string":"Ti1 V1\n1.0\n1.565733 -2.203831 0.000000\n1.565733 2.203831 0.000000\n0.000000 0.000000 4.412961\nTi V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n","nsites":2,"nelements":2,"elements":["Ti","V"],"chemical_system":"Ti-V","density":5.387500532093173,"density_atomic":0.06567104360465353,"volume":30.454822859831598,"volume_molar":9.170161504138584,"formula_full":"Ti1 V1","formula_reduced":"TiV","formula_anonymous":"AB","energy":-16.74218372,"energy_per_atom":-8.37109186,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.74218372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0553406,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.847000Z","spacegroup":65},{"id":"mp-29374","created_at":"2022-09-04T14:44:11.392973Z","structure_string":"K4 Ga4 Sb16\n1.0\n4.275338 0.000000 0.000000\n0.000000 10.570687 0.000000\n0.000000 0.000000 18.212415\nK Ga Sb\n4 4 16\ndirect\n0.750000 0.178401 0.434453 K\n0.250000 0.821599 0.565547 K\n0.750000 0.678401 0.065547 K\n0.250000 0.321599 0.934453 K\n0.750000 0.317257 0.630936 Ga\n0.250000 0.682743 0.369064 Ga\n0.750000 0.817257 0.869064 Ga\n0.250000 0.182743 0.130936 Ga\n0.750000 0.830739 0.397936 Sb\n0.250000 0.169261 0.602064 Sb\n0.750000 0.330739 0.102064 Sb\n0.250000 0.669261 0.897936 Sb\n0.750000 0.388761 0.773329 Sb\n0.250000 0.611239 0.226671 Sb\n0.750000 0.888761 0.726671 Sb\n0.250000 0.111239 0.273329 Sb\n0.750000 0.533479 0.550262 Sb\n0.250000 0.466521 0.449738 Sb\n0.750000 0.033479 0.949738 Sb\n0.250000 0.966521 0.050262 Sb\n0.750000 0.929028 0.250984 Sb\n0.250000 0.070972 0.749016 Sb\n0.750000 0.429028 0.249016 Sb\n0.250000 0.570972 0.750984 Sb\n","nsites":24,"nelements":3,"elements":["K","Ga","Sb"],"chemical_system":"Ga-K-Sb","density":4.808538109254898,"density_atomic":0.02915882607623393,"volume":823.0784029937796,"volume_molar":20.65289166393561,"formula_full":"K4 Ga4 Sb16","formula_reduced":"KGaSb4","formula_anonymous":"ABC4","energy":-91.07774552,"energy_per_atom":-3.794906063333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.00574552,"band_gap":0.2966999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0150794,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.691000Z","spacegroup":62},{"id":"mp-1215327","created_at":"2022-09-04T14:44:11.408774Z","structure_string":"Zr4 Al4 Ir4\n1.0\n2.696540 -4.619150 0.000000\n2.696540 4.619150 0.000000\n0.000000 0.000000 8.290068\nZr Al Ir\n4 4 4\ndirect\n0.334637 0.665363 0.208187 Zr\n0.670231 0.329769 0.322501 Zr\n0.670231 0.329769 0.677499 Zr\n0.334637 0.665363 0.791813 Zr\n0.994421 0.005579 0.254716 Al\n0.994421 0.005579 0.745284 Al\n0.828797 0.655219 0.000000 Al\n0.344781 0.171203 0.000000 Al\n0.830485 0.169515 0.000000 Ir\n0.169527 0.337977 0.500000 Ir\n0.662023 0.830473 0.500000 Ir\n0.166201 0.833799 0.500000 Ir\n","nsites":12,"nelements":3,"elements":["Zr","Al","Ir"],"chemical_system":"Al-Ir-Zr","density":9.984017049325747,"density_atomic":0.05810643419761416,"volume":206.5175770240728,"volume_molar":10.363982652109236,"formula_full":"Zr4 Al4 Ir4","formula_reduced":"ZrAlIr","formula_anonymous":"ABC","energy":-94.38484009,"energy_per_atom":-7.865403340833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.38484009,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000424,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.962000Z","spacegroup":38},{"id":"mp-1516939","created_at":"2022-09-04T14:44:11.412806Z","structure_string":"Ba1 Na1 Hf1 Bi1 O6\n1.0\n0.000000 -4.194561 -4.194561\n4.194561 0.000000 -4.194561\n4.194561 -4.194561 0.000000\nBa Na Hf Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Bi\n0.747050 0.252950 0.252950 O\n0.252950 0.747050 0.747050 O\n0.747050 0.252950 0.747050 O\n0.252950 0.747050 0.252950 O\n0.747050 0.747050 0.252950 O\n0.252950 0.252950 0.747050 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Hf","Bi","O"],"chemical_system":"Ba-Bi-Hf-Na-O","density":7.242682486231277,"density_atomic":0.0677501811298548,"volume":147.6010814027684,"volume_molar":8.888744885356894,"formula_full":"Ba1 Na1 Hf1 Bi1 O6","formula_reduced":"BaNaHfBiO6","formula_anonymous":"ABCDE6","energy":-72.99439461,"energy_per_atom":-7.299439461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.87239461,"band_gap":1.0663,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.913000Z","spacegroup":216},{"id":"mp-1188828","created_at":"2022-09-04T14:44:11.421088Z","structure_string":"Ba4 Br8 O4\n1.0\n4.777695 0.000000 0.000000\n0.000000 9.031214 0.000000\n0.000000 0.000000 10.887149\nBa Br O\n4 8 4\ndirect\n0.250000 0.231415 0.891130 Ba\n0.250000 0.731415 0.608870 Ba\n0.750000 0.768585 0.108870 Ba\n0.750000 0.268585 0.391130 Ba\n0.750000 0.132327 0.098971 Br\n0.750000 0.632327 0.401029 Br\n0.250000 0.867673 0.901029 Br\n0.250000 0.367673 0.598971 Br\n0.750000 0.051096 0.679292 Br\n0.750000 0.551096 0.820708 Br\n0.250000 0.948904 0.320708 Br\n0.250000 0.448904 0.179292 Br\n0.750000 0.351536 0.847454 O\n0.750000 0.851536 0.652546 O\n0.250000 0.648464 0.152546 O\n0.250000 0.148464 0.347454 O\n","nsites":16,"nelements":3,"elements":["Ba","Br","O"],"chemical_system":"Ba-Br-O","density":4.427526280553937,"density_atomic":0.034059734720055405,"volume":469.76290718373434,"volume_molar":17.681114693045398,"formula_full":"Ba4 Br8 O4","formula_reduced":"BaBr2O","formula_anonymous":"ABC2","energy":-67.84684745,"energy_per_atom":-4.240427965625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.09884745,"band_gap":2.0687,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.81e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.566000Z","spacegroup":62},{"id":"mp-1222787","created_at":"2022-09-04T14:44:11.433575Z","structure_string":"La2 Ti2 Nb2 O12\n1.0\n4.473578 5.638809 0.000000\n-4.473578 5.638809 0.000000\n0.000000 2.263374 4.816563\nLa Ti Nb O\n2 2 2 12\ndirect\n0.189129 0.810871 0.500000 La\n0.811574 0.188426 0.000000 La\n0.651138 0.816542 0.799872 Ti\n0.183458 0.348862 0.200128 Ti\n0.350492 0.188580 0.695754 Nb\n0.811420 0.649508 0.304246 Nb\n0.898560 0.821447 0.900963 O\n0.178553 0.101440 0.099037 O\n0.099930 0.179903 0.595512 O\n0.820097 0.900070 0.404488 O\n0.556086 0.722218 0.209654 O\n0.277782 0.443914 0.790346 O\n0.440774 0.280032 0.282510 O\n0.719968 0.559226 0.717490 O\n0.115096 0.596705 0.278396 O\n0.403295 0.884904 0.721604 O\n0.887945 0.395296 0.222166 O\n0.604704 0.112055 0.777834 O\n","nsites":18,"nelements":4,"elements":["La","Ti","Nb","O"],"chemical_system":"La-Nb-O-Ti","density":5.1343094225082995,"density_atomic":0.07407350005778122,"volume":243.00188307504104,"volume_molar":8.129953026794215,"formula_full":"La2 Ti2 Nb2 O12","formula_reduced":"LaTiNbO6","formula_anonymous":"ABCD6","energy":-168.58048955,"energy_per_atom":-9.365582752777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.33648955,"band_gap":3.1468000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.09e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.008000Z","spacegroup":5},{"id":"mp-865353","created_at":"2022-09-04T14:44:11.546286Z","structure_string":"Tm2 I6\n1.0\n5.845650 -10.124963 0.000000\n5.845650 10.124963 0.000000\n0.000000 0.000000 3.951988\nTm I\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.219991 0.439983 0.250000 I\n0.560017 0.780009 0.250000 I\n0.219991 0.780009 0.250000 I\n0.780009 0.560017 0.750000 I\n0.439983 0.219991 0.750000 I\n0.780009 0.219991 0.750000 I\n","nsites":8,"nelements":2,"elements":["Tm","I"],"chemical_system":"I-Tm","density":3.902038752301893,"density_atomic":0.01710086664285558,"volume":467.81254816358967,"volume_molar":35.2154126791927,"formula_full":"Tm2 I6","formula_reduced":"TmI3","formula_anonymous":"AB3","energy":-31.06854525,"energy_per_atom":-3.88356815625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.79454525,"band_gap":2.2545,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075541,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.671000Z","spacegroup":194},{"id":"mp-428","created_at":"2022-09-04T14:44:11.450919Z","structure_string":"Pr1 Mg3\n1.0\n0.000000 3.723186 3.723186\n3.723186 0.000000 3.723186\n3.723186 3.723186 0.000000\nPr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n","nsites":4,"nelements":2,"elements":["Pr","Mg"],"chemical_system":"Mg-Pr","density":3.4397637133994663,"density_atomic":0.038751257213191316,"volume":103.22245748038233,"volume_molar":15.540504213499434,"formula_full":"Pr1 Mg3","formula_reduced":"PrMg3","formula_anonymous":"AB3","energy":-10.08604381,"energy_per_atom":-2.5215109525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.08604381,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.4e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.679000Z","spacegroup":225},{"id":"mp-2724","created_at":"2022-09-04T14:44:11.451969Z","structure_string":"Tb1 Sb1\n1.0\n0.000000 3.114590 3.114590\n3.114590 0.000000 3.114590\n3.114590 3.114590 0.000000\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n","nsites":2,"nelements":2,"elements":["Tb","Sb"],"chemical_system":"Sb-Tb","density":7.71322842344794,"density_atomic":0.03309766419664478,"volume":60.42722495815117,"volume_molar":18.195062721708574,"formula_full":"Tb1 Sb1","formula_reduced":"TbSb","formula_anonymous":"AB","energy":-11.2367957,"energy_per_atom":-5.61839785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.0447957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007771,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.813000Z","spacegroup":225},{"id":"mp-936636","created_at":"2022-09-04T14:44:11.452992Z","structure_string":"Yb3 Bi14 Te24\n1.0\n8.295009 0.000000 0.000000\n-2.686208 7.893640 0.000000\n-2.666154 -4.014380 20.954895\nYb Bi Te\n3 14 24\ndirect\n0.127265 0.749970 0.044700 Yb\n0.769977 0.137535 0.201534 Yb\n0.849913 0.602870 0.923855 Yb\n0.093751 0.784642 0.388892 Bi\n0.393030 0.282807 0.118703 Bi\n0.133862 0.761115 0.713232 Bi\n0.425912 0.256350 0.434925 Bi\n0.256351 0.397074 0.280286 Bi\n0.921192 0.669624 0.254029 Bi\n0.645608 0.904724 0.086510 Bi\n0.742845 0.092239 0.886782 Bi\n0.397237 0.241085 0.774296 Bi\n0.253868 0.346107 0.633879 Bi\n0.950526 0.660880 0.575203 Bi\n0.558107 0.819393 0.431696 Bi\n0.242494 0.371005 0.949617 Bi\n0.594829 0.822214 0.751746 Bi\n0.627405 0.501786 0.163735 Te\n0.140427 0.500362 0.167370 Te\n0.600910 0.478345 0.501520 Te\n0.846829 0.360099 0.051190 Te\n0.969152 0.991517 0.293494 Te\n0.135306 0.503832 0.494306 Te\n0.505422 0.630857 0.324824 Te\n0.991545 0.982712 0.120505 Te\n0.623523 0.487641 0.836284 Te\n0.369310 0.875723 0.212733 Te\n0.995831 0.995939 0.632210 Te\n0.115195 0.486288 0.840956 Te\n0.509609 0.648288 0.667057 Te\n0.987936 0.995620 0.459479 Te\n0.874904 0.382450 0.376707 Te\n0.495742 0.125349 0.329669 Te\n0.368981 0.883754 0.543870 Te\n0.974952 0.977503 0.960979 Te\n0.469062 0.620950 0.997623 Te\n0.002180 0.983023 0.792384 Te\n0.892112 0.394465 0.708180 Te\n0.517211 0.157043 0.664135 Te\n0.377771 0.875999 0.873609 Te\n0.501920 0.135822 0.995633 Te\n","nsites":41,"nelements":3,"elements":["Yb","Bi","Te"],"chemical_system":"Bi-Te-Yb","density":7.875291344184356,"density_atomic":0.02988162355052601,"volume":1372.0807348594776,"volume_molar":20.153325169287836,"formula_full":"Yb3 Bi14 Te24","formula_reduced":"Yb3(Bi7Te12)2","formula_anonymous":"A3B14C24","energy":-113.55135924,"energy_per_atom":-2.7695453473170732,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.42335924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026965,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.523000Z","spacegroup":1},{"id":"mp-4632","created_at":"2022-09-04T14:44:11.461922Z","structure_string":"Sr3 P2 O8\n1.0\n6.863555 -2.730276 0.000000\n6.863555 2.730276 0.000000\n5.777470 0.000000 4.602568\nSr P O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.207822 0.207822 0.207822 Sr\n0.792178 0.792178 0.792178 Sr\n0.406323 0.406323 0.406323 P\n0.593677 0.593677 0.593677 P\n0.329199 0.329199 0.329199 O\n0.670801 0.670801 0.670801 O\n0.277033 0.744027 0.277033 O\n0.277033 0.277033 0.744027 O\n0.744027 0.277033 0.277033 O\n0.722967 0.255973 0.722967 O\n0.722967 0.722967 0.255973 O\n0.255973 0.722967 0.722967 O\n","nsites":13,"nelements":3,"elements":["Sr","P","O"],"chemical_system":"O-P-Sr","density":4.358853264838477,"density_atomic":0.075362877672857,"volume":172.4987208746427,"volume_molar":7.9908582925157585,"formula_full":"Sr3 P2 O8","formula_reduced":"Sr3(PO4)2","formula_anonymous":"A2B3C8","energy":-98.64179395,"energy_per_atom":-7.587830303846153,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.14579395,"band_gap":5.4064000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.98e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.891000Z","spacegroup":166},{"id":"mp-30594","created_at":"2022-09-04T14:44:11.468981Z","structure_string":"Cu16 Pd4\n1.0\n5.907522 0.000000 0.000000\n0.000000 5.907522 0.000000\n0.000000 0.000000 7.233708\nCu Pd\n16 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.250000 Cu\n0.500000 0.500000 0.750000 Cu\n0.192255 0.603935 0.000000 Cu\n0.396065 0.192255 0.500000 Cu\n0.603935 0.807745 0.500000 Cu\n0.807745 0.396065 0.000000 Cu\n0.096756 0.297178 0.249247 Cu\n0.702822 0.096756 0.749247 Cu\n0.297178 0.903244 0.749247 Cu\n0.903244 0.702822 0.249247 Cu\n0.903244 0.702822 0.750753 Cu\n0.297178 0.903244 0.250753 Cu\n0.702822 0.096756 0.250753 Cu\n0.096756 0.297178 0.750753 Cu\n0.397712 0.207585 0.000000 Pd\n0.792415 0.397712 0.500000 Pd\n0.207585 0.602288 0.500000 Pd\n0.602288 0.792415 0.000000 Pd\n","nsites":20,"nelements":2,"elements":["Cu","Pd"],"chemical_system":"Cu-Pd","density":9.48785326625881,"density_atomic":0.0792242846715257,"volume":252.4478457952966,"volume_molar":7.601382309690251,"formula_full":"Cu16 Pd4","formula_reduced":"Cu4Pd","formula_anonymous":"AB4","energy":-87.70088261,"energy_per_atom":-4.3850441305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.70088261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001453,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.152000Z","spacegroup":84}]}