{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10239","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10237","results":[{"id":"mp-1027926","created_at":"2022-09-04T14:43:56.462077Z","structure_string":"Li1 Mg14 Fe1\n1.0\n6.303471 -0.032782 0.000000\n-3.180126 5.508139 0.000000\n0.000000 0.000000 9.911567\nLi Mg Fe\n1 14 1\ndirect\n0.165962 0.832980 0.125000 Li\n0.169414 0.334707 0.625000 Mg\n0.171379 0.835689 0.625000 Mg\n0.674296 0.339006 0.125000 Mg\n0.665570 0.330914 0.625000 Mg\n0.674296 0.835289 0.125000 Mg\n0.665570 0.834655 0.625000 Mg\n0.323420 0.167474 0.359785 Mg\n0.323420 0.167474 0.890215 Mg\n0.323420 0.655947 0.359785 Mg\n0.323420 0.655947 0.890215 Mg\n0.842136 0.171068 0.365006 Mg\n0.842136 0.171068 0.884994 Mg\n0.834110 0.667056 0.375523 Mg\n0.834110 0.667056 0.874477 Mg\n0.167344 0.333671 0.125000 Fe\n","nsites":16,"nelements":3,"elements":["Li","Mg","Fe"],"chemical_system":"Fe-Li-Mg","density":1.950713473690141,"density_atomic":0.04663360376741798,"volume":343.1002261759341,"volume_molar":12.913736605120699,"formula_full":"Li1 Mg14 Fe1","formula_reduced":"LiMg14Fe","formula_anonymous":"ABC14","energy":-31.61670148,"energy_per_atom":-1.9760438425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61670148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.012636,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.920000Z","spacegroup":38},{"id":"mp-1079228","created_at":"2022-09-04T14:39:22.007719Z","structure_string":"Ga4 Bi1 As3\n1.0\n5.940395 0.000000 0.000000\n0.000000 5.940395 0.000000\n0.000000 0.000000 5.940395\nGa Bi As\n4 1 3\ndirect\n0.260721 0.260721 0.260721 Ga\n0.260721 0.739279 0.739279 Ga\n0.739279 0.260721 0.739279 Ga\n0.739279 0.739279 0.260721 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.500000 0.500000 As\n","nsites":8,"nelements":3,"elements":["Ga","Bi","As"],"chemical_system":"As-Bi-Ga","density":5.645099677662599,"density_atomic":0.03816313251664432,"volume":209.62639784642707,"volume_molar":15.779995935536808,"formula_full":"Ga4 Bi1 As3","formula_reduced":"Ga4BiAs3","formula_anonymous":"AB3C4","energy":-31.61540868,"energy_per_atom":-3.951926085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61540868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017628,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.587000Z","spacegroup":215},{"id":"mp-867851","created_at":"2022-09-04T14:39:49.423745Z","structure_string":"Rb4 Tl2 Au6\n1.0\n5.827308 0.000000 0.000000\n0.000000 6.971910 0.000000\n0.000000 0.000000 9.292276\nRb Tl Au\n4 2 6\ndirect\n0.250000 0.500000 0.632346 Rb\n0.250000 0.000000 0.868900 Rb\n0.750000 0.000000 0.131100 Rb\n0.750000 0.500000 0.367654 Rb\n0.750000 0.500000 0.925767 Tl\n0.250000 0.500000 0.074233 Tl\n0.000000 0.000000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.750000 0.207460 0.715858 Au\n0.750000 0.792540 0.715858 Au\n0.250000 0.207460 0.284142 Au\n0.250000 0.792540 0.284142 Au\n","nsites":12,"nelements":3,"elements":["Rb","Tl","Au"],"chemical_system":"Au-Rb-Tl","density":8.499877049223363,"density_atomic":0.03178625769363133,"volume":377.5216357855272,"volume_molar":18.94573692204915,"formula_full":"Rb4 Tl2 Au6","formula_reduced":"Rb2TlAu3","formula_anonymous":"AB2C3","energy":-31.61466537,"energy_per_atom":-2.6345554475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61466537,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003697,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.895000Z","spacegroup":51},{"id":"mp-998949","created_at":"2022-09-04T14:46:34.302106Z","structure_string":"Ti2 Pt2\n1.0\n2.797140 0.000000 0.000000\n0.000000 4.627689 0.000000\n0.000000 0.000000 4.884919\nTi Pt\n2 2\ndirect\n0.500000 0.250000 0.700620 Ti\n0.500000 0.750000 0.299380 Ti\n0.000000 0.250000 0.189705 Pt\n0.000000 0.750000 0.810295 Pt\n","nsites":4,"nelements":2,"elements":["Ti","Pt"],"chemical_system":"Pt-Ti","density":12.760334190395493,"density_atomic":0.06325928163766202,"volume":63.23182774839734,"volume_molar":9.519774180323067,"formula_full":"Ti2 Pt2","formula_reduced":"TiPt","formula_anonymous":"AB","energy":-31.61418945,"energy_per_atom":-7.9035473625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61418945,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023927,"is_theoretical":false,"updated_at":"2021-11-28T01:37:26.956000Z","spacegroup":51},{"id":"mp-1111660","created_at":"2022-09-04T14:42:57.856582Z","structure_string":"K2 Li1 Tl1 Cl6\n1.0\n0.000000 5.180487 5.180487\n5.180487 0.000000 5.180487\n5.180487 5.180487 0.000000\nK Li Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.747844 0.252156 0.252156 Cl\n0.252156 0.252156 0.747844 Cl\n0.252156 0.747844 0.747844 Cl\n0.252156 0.747844 0.252156 Cl\n0.747844 0.252156 0.747844 Cl\n0.747844 0.747844 0.252156 Cl\n","nsites":10,"nelements":4,"elements":["K","Li","Tl","Cl"],"chemical_system":"Cl-K-Li-Tl","density":2.999284646365171,"density_atomic":0.035963192667791695,"volume":278.0620756442436,"volume_molar":16.745289595474024,"formula_full":"K2 Li1 Tl1 Cl6","formula_reduced":"K2LiTlCl6","formula_anonymous":"ABC2D6","energy":-35.29805444,"energy_per_atom":-3.529805444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61405444,"band_gap":1.5798,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.42e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.115000Z","spacegroup":225},{"id":"mp-1215681","created_at":"2022-09-04T14:46:35.997858Z","structure_string":"Y1 U1 As2\n1.0\n4.116390 0.000000 0.000000\n0.000000 4.116390 0.000000\n0.000000 0.000000 5.801061\nY U As\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n","nsites":4,"nelements":3,"elements":["Y","U","As"],"chemical_system":"As-U-Y","density":8.054244465102633,"density_atomic":0.040692983292315646,"volume":98.29704475747664,"volume_molar":14.79896599553861,"formula_full":"Y1 U1 As2","formula_reduced":"YUAs2","formula_anonymous":"ABC2","energy":-31.6127929,"energy_per_atom":-7.903198225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.6127929,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6388698,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.307000Z","spacegroup":123},{"id":"mp-1096814","created_at":"2022-09-04T14:42:19.849006Z","structure_string":"Al2 Zn1 S4\n1.0\n1.842437 -3.191194 0.000000\n1.842437 3.191194 0.000000\n0.000000 0.000000 11.953180\nAl Zn S\n2 1 4\ndirect\n0.333333 0.666667 0.921165 Al\n0.000000 0.000000 0.615622 Al\n0.666667 0.333333 0.303472 Zn\n0.666667 0.333333 0.995564 S\n0.666667 0.333333 0.520360 S\n0.333333 0.666667 0.732952 S\n0.333333 0.666667 0.242865 S\n","nsites":7,"nelements":3,"elements":["Al","Zn","S"],"chemical_system":"Al-S-Zn","density":2.92547701051947,"density_atomic":0.049801076609094365,"volume":140.55921029469678,"volume_molar":12.092390707272932,"formula_full":"Al2 Zn1 S4","formula_reduced":"Al2ZnS4","formula_anonymous":"AB2C4","energy":-33.62456372,"energy_per_atom":-4.803509102857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.612563720000004,"band_gap":0.4488000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013155,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.483000Z","spacegroup":156},{"id":"mp-1217066","created_at":"2022-09-04T14:41:20.609647Z","structure_string":"Ti2 Be3 Ga1\n1.0\n-3.293252 0.000000 -3.293252\n3.293252 -3.293252 0.000000\n-3.333885 -3.333885 0.040633\nTi Be Ga\n2 3 1\ndirect\n0.500463 0.750231 0.749306 Ti\n0.999537 0.999769 0.000694 Ti\n0.250000 0.375000 0.375000 Be\n0.250000 0.875000 0.375000 Be\n0.750000 0.375000 0.375000 Be\n0.750000 0.375000 0.875000 Ga\n","nsites":6,"nelements":3,"elements":["Ti","Be","Ga"],"chemical_system":"Be-Ga-Ti","density":4.39335398871777,"density_atomic":0.08246737624452814,"volume":72.75604333778124,"volume_molar":7.302452235346314,"formula_full":"Ti2 Be3 Ga1","formula_reduced":"Ti2Be3Ga","formula_anonymous":"AB2C3","energy":-31.612383200000004,"energy_per_atom":-5.268730533333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.612383200000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7373148,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.375000Z","spacegroup":166},{"id":"mp-1028053","created_at":"2022-09-04T14:40:26.343581Z","structure_string":"Sr1 Mg14 Mn1\n1.0\n6.524035 0.000000 0.000000\n-3.262017 5.649979 -0.000000\n-0.000000 0.000000 10.450006\nSr Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.164460 0.832229 0.125000 Mg\n0.178730 0.839365 0.625000 Mg\n0.667771 0.335540 0.125000 Mg\n0.660635 0.321270 0.625000 Mg\n0.667771 0.832229 0.125000 Mg\n0.660635 0.839365 0.625000 Mg\n0.334446 0.165554 0.357541 Mg\n0.334446 0.165554 0.892459 Mg\n0.334446 0.668893 0.357541 Mg\n0.334446 0.668893 0.892459 Mg\n0.831107 0.165554 0.357541 Mg\n0.831107 0.165554 0.892459 Mg\n0.833333 0.666667 0.381434 Mg\n0.833333 0.666667 0.868566 Mg\n0.166667 0.333333 0.125000 Mn\n","nsites":16,"nelements":3,"elements":["Sr","Mg","Mn"],"chemical_system":"Mg-Mn-Sr","density":2.0814305752745184,"density_atomic":0.04153749738643334,"volume":385.1941259519837,"volume_molar":14.498082790050091,"formula_full":"Sr1 Mg14 Mn1","formula_reduced":"SrMg14Mn","formula_anonymous":"ABC14","energy":-31.61223493,"energy_per_atom":-1.975764683125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61223493,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5981136,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.030000Z","spacegroup":187},{"id":"mp-541073","created_at":"2022-09-04T14:39:21.612737Z","structure_string":"Sm2 S2 I2\n1.0\n11.217748 -2.303004 0.000000\n11.217748 2.303004 0.000000\n10.744941 0.000000 3.960800\nSm S I\n2 2 2\ndirect\n0.386591 0.386591 0.386591 Sm\n0.613409 0.613409 0.613409 Sm\n0.301940 0.301940 0.301940 S\n0.698060 0.698060 0.698060 S\n0.113218 0.113218 0.113218 I\n0.886782 0.886782 0.886782 I\n","nsites":6,"nelements":3,"elements":["Sm","S","I"],"chemical_system":"I-S-Sm","density":5.019808038752727,"density_atomic":0.029318244984542174,"volume":204.65072186836065,"volume_molar":20.540590895447966,"formula_full":"Sm2 S2 I2","formula_reduced":"SmSI","formula_anonymous":"ABC","energy":-33.37543305,"energy_per_atom":-5.562572175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61143305,"band_gap":2.4395,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020092,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.712000Z","spacegroup":166},{"id":"mp-1028295","created_at":"2022-09-04T14:42:26.018549Z","structure_string":"Mg14 Si1 Sn1\n1.0\n6.261544 -0.192784 0.000000\n-3.297727 5.711831 0.000000\n0.000000 0.000000 10.168650\nMg Si Sn\n14 1 1\ndirect\n0.170800 0.335399 0.625000 Mg\n0.170094 0.835046 0.625000 Mg\n0.670825 0.334757 0.125000 Mg\n0.667737 0.334649 0.625000 Mg\n0.670825 0.836067 0.125000 Mg\n0.667737 0.833087 0.625000 Mg\n0.328215 0.159395 0.369372 Mg\n0.328215 0.159395 0.880628 Mg\n0.328215 0.668820 0.369372 Mg\n0.328215 0.668820 0.880628 Mg\n0.832693 0.166347 0.376271 Mg\n0.832693 0.166347 0.873729 Mg\n0.838389 0.669195 0.370401 Mg\n0.838389 0.669195 0.879599 Mg\n0.162275 0.831137 0.125000 Si\n0.164686 0.332342 0.125000 Sn\n","nsites":16,"nelements":3,"elements":["Mg","Si","Sn"],"chemical_system":"Mg-Si-Sn","density":2.264152870423032,"density_atomic":0.04479084572422402,"volume":357.2158493838574,"volume_molar":13.445025791828428,"formula_full":"Mg14 Si1 Sn1","formula_reduced":"Mg14SiSn","formula_anonymous":"ABC14","energy":-31.61028588,"energy_per_atom":-1.9756428675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.61028588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.79e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.100000Z","spacegroup":38},{"id":"mp-865944","created_at":"2022-09-04T14:41:50.458882Z","structure_string":"Th1 Sn1 Ru2\n1.0\n0.000000 3.403072 3.403072\n3.403072 0.000000 3.403072\n3.403072 3.403072 0.000000\nTh Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Th","Sn","Ru"],"chemical_system":"Ru-Sn-Th","density":11.647773042660216,"density_atomic":0.05074772555419175,"volume":78.82126649653564,"volume_molar":11.866819043090244,"formula_full":"Th1 Sn1 Ru2","formula_reduced":"ThSnRu2","formula_anonymous":"ABC2","energy":-31.60941661,"energy_per_atom":-7.9023541525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.60941661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.059000Z","spacegroup":225}]}