{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10227","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10225","results":[{"id":"mp-1212203","created_at":"2022-09-04T14:40:41.561894Z","structure_string":"Ho10 Sb2 Pd4\n1.0\n-3.864213 3.864213 6.811971\n3.864213 -3.864213 6.811971\n3.864213 3.864213 -6.811971\nHo Sb Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.799161 0.299161 0.813468 Ho\n0.200839 0.700839 0.186532 Ho\n0.485693 0.985693 0.186532 Ho\n0.299161 0.485693 0.500000 Ho\n0.014307 0.200839 0.500000 Ho\n0.514307 0.014307 0.813468 Ho\n0.700839 0.514307 0.500000 Ho\n0.985693 0.799161 0.500000 Ho\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.137338 0.637338 0.774676 Pd\n0.862662 0.362662 0.225324 Pd\n0.637338 0.862662 0.500000 Pd\n0.362662 0.137338 0.500000 Pd\n","nsites":16,"nelements":3,"elements":["Ho","Sb","Pd"],"chemical_system":"Ho-Pd-Sb","density":9.462413030659597,"density_atomic":0.039324669964368564,"volume":406.8692760676018,"volume_molar":15.313900321239982,"formula_full":"Ho10 Sb2 Pd4","formula_reduced":"Ho5SbPd2","formula_anonymous":"AB2C5","energy":-87.24541882,"energy_per_atom":-5.45283867625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.24541882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014735,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.311000Z","spacegroup":140},{"id":"mp-11368","created_at":"2022-09-04T14:42:49.087561Z","structure_string":"Er10 Ga6\n1.0\n4.265490 -7.388046 0.000000\n4.265490 7.388046 0.000000\n0.000000 0.000000 6.455610\nEr Ga\n10 6\ndirect\n0.000000 0.756422 0.750000 Er\n0.000000 0.243578 0.250000 Er\n0.756422 0.756422 0.250000 Er\n0.756422 0.000000 0.750000 Er\n0.243578 0.243578 0.750000 Er\n0.243578 0.000000 0.250000 Er\n0.333333 0.666667 0.500000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.401101 0.000000 0.750000 Ga\n0.401101 0.401101 0.250000 Ga\n0.000000 0.598899 0.250000 Ga\n0.000000 0.401101 0.750000 Ga\n0.598899 0.598899 0.750000 Ga\n0.598899 0.000000 0.250000 Ga\n","nsites":16,"nelements":2,"elements":["Er","Ga"],"chemical_system":"Er-Ga","density":8.533405345723677,"density_atomic":0.03932368263036778,"volume":406.8794916894171,"volume_molar":15.31428482069325,"formula_full":"Er10 Ga6","formula_reduced":"Er5Ga3","formula_anonymous":"A3B5","energy":-71.50368351,"energy_per_atom":-4.468980219375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.50368351,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.038747,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.436000Z","spacegroup":193},{"id":"mp-1209929","created_at":"2022-09-04T14:40:21.574607Z","structure_string":"Ni1 O3\n1.0\n2.002966 -3.025457 0.000000\n2.002966 3.025457 0.000000\n0.000000 0.000000 8.392933\nNi O\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n","nsites":4,"nelements":2,"elements":["Ni","O"],"chemical_system":"Ni-O","density":1.741690614670882,"density_atomic":0.03932345581299238,"volume":101.72045964175938,"volume_molar":15.314373153364354,"formula_full":"Ni1 O3","formula_reduced":"NiO3","formula_anonymous":"AB3","energy":-18.8625596,"energy_per_atom":-4.7156399,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.2605596,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8873217,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.277000Z","spacegroup":65},{"id":"mp-1077779","created_at":"2022-09-04T14:39:41.582163Z","structure_string":"Er2 Se4\n1.0\n-2.025064 2.827252 6.662601\n2.025064 -2.827252 6.662601\n2.025064 2.827252 -6.662601\nEr Se\n2 4\ndirect\n0.849982 0.849982 0.000000 Er\n0.150018 0.150018 0.000000 Er\n0.706798 0.206798 0.500000 Se\n0.293202 0.793202 0.500000 Se\n0.785569 0.500000 0.285569 Se\n0.214431 0.500000 0.714431 Se\n","nsites":6,"nelements":2,"elements":["Er","Se"],"chemical_system":"Er-Se","density":7.077738522333365,"density_atomic":0.03932277698624042,"volume":152.58332345397383,"volume_molar":15.314637524473996,"formula_full":"Er2 Se4","formula_reduced":"ErSe2","formula_anonymous":"AB2","energy":-34.08115812,"energy_per_atom":-5.68019302,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.19315812,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035318,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.451000Z","spacegroup":71},{"id":"mp-1509","created_at":"2022-09-04T14:39:46.899532Z","structure_string":"Sn8 S12\n1.0\n3.801549 0.000000 0.000000\n0.000000 9.271768 0.000000\n0.000000 0.000000 14.430494\nSn S\n8 12\ndirect\n0.750000 0.340264 0.549904 Sn\n0.250000 0.659736 0.450096 Sn\n0.750000 0.840264 0.950096 Sn\n0.250000 0.159736 0.049904 Sn\n0.750000 0.968516 0.337060 Sn\n0.250000 0.031484 0.662940 Sn\n0.750000 0.468516 0.162940 Sn\n0.250000 0.531484 0.837060 Sn\n0.750000 0.482129 0.394910 S\n0.250000 0.517871 0.605090 S\n0.750000 0.982129 0.105090 S\n0.250000 0.017871 0.894910 S\n0.750000 0.831478 0.504987 S\n0.250000 0.168522 0.495013 S\n0.750000 0.331478 0.995013 S\n0.250000 0.668522 0.004987 S\n0.750000 0.219698 0.707568 S\n0.250000 0.780302 0.292432 S\n0.750000 0.719698 0.792432 S\n0.250000 0.280302 0.207568 S\n","nsites":20,"nelements":2,"elements":["Sn","S"],"chemical_system":"S-Sn","density":4.356626317071112,"density_atomic":0.03932109906507397,"volume":508.63278177706184,"volume_molar":15.315291035059149,"formula_full":"Sn8 S12","formula_reduced":"Sn2S3","formula_anonymous":"A2B3","energy":-95.66848444,"energy_per_atom":-4.783424222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.63248444,"band_gap":0.7774000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0083268,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.625000Z","spacegroup":62},{"id":"mp-1112641","created_at":"2022-09-04T14:40:59.274557Z","structure_string":"Cs2 Nb1 Au1 F6\n1.0\n0.000000 5.028617 5.028617\n5.028617 0.000000 5.028617\n5.028617 5.028617 0.000000\nCs Nb Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Au\n0.807335 0.192665 0.192665 F\n0.192665 0.192665 0.807335 F\n0.192665 0.807335 0.807335 F\n0.192665 0.807335 0.192665 F\n0.807335 0.192665 0.807335 F\n0.807335 0.807335 0.192665 F\n","nsites":10,"nelements":4,"elements":["Cs","Nb","Au","F"],"chemical_system":"Au-Cs-F-Nb","density":4.372572693637888,"density_atomic":0.039320979399249764,"volume":254.31716485146345,"volume_molar":15.315337644196374,"formula_full":"Cs2 Nb1 Au1 F6","formula_reduced":"Cs2NbAuF6","formula_anonymous":"ABC2D6","energy":-53.19470732,"energy_per_atom":-5.319470732,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.42270732,"band_gap":0.1377000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.063313,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.230000Z","spacegroup":225},{"id":"mp-866834","created_at":"2022-09-04T14:39:26.549306Z","structure_string":"Ca4 Sn2 S8\n1.0\n6.995774 0.000000 0.000000\n0.000000 6.831092 0.000000\n0.000000 2.282643 7.450794\nCa Sn S\n4 2 8\ndirect\n0.250000 0.710964 0.946337 Ca\n0.750000 0.289036 0.053663 Ca\n0.250000 0.723531 0.445962 Ca\n0.750000 0.276469 0.554038 Ca\n0.250000 0.240642 0.813104 Sn\n0.750000 0.759358 0.186896 Sn\n0.250000 0.031475 0.114918 S\n0.750000 0.968525 0.885082 S\n0.250000 0.036234 0.614706 S\n0.750000 0.963766 0.385294 S\n0.503671 0.494876 0.748317 S\n0.003671 0.505124 0.251683 S\n0.496329 0.505124 0.251683 S\n0.996329 0.494876 0.748317 S\n","nsites":14,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.051165006042374,"density_atomic":0.03931873837086106,"volume":356.06432403678895,"volume_molar":15.316210564027102,"formula_full":"Ca4 Sn2 S8","formula_reduced":"Ca2SnS4","formula_anonymous":"AB2C4","energy":-70.86910398,"energy_per_atom":-5.062078855714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.84510398,"band_gap":1.7687999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003326,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.580000Z","spacegroup":11},{"id":"mp-1101098","created_at":"2022-09-04T14:39:37.722468Z","structure_string":"Ti8 Cr2 Te16\n1.0\n6.843336 0.000000 3.421668\n-3.419784 6.645745 -1.714602\n-2.394399 -0.068469 13.342968\nTi Cr Te\n8 2 16\ndirect\n0.004994 0.494096 0.000071 Ti\n0.015373 0.014976 0.999671 Ti\n0.484627 0.485024 0.000329 Ti\n0.260969 0.505904 0.499929 Ti\n0.495006 0.005904 0.999929 Ti\n0.239031 0.994096 0.500071 Ti\n0.749932 0.514976 0.499671 Ti\n0.750068 0.985024 0.500329 Ti\n0.121010 0.500000 0.750000 Cr\n0.378990 0.000000 0.250000 Cr\n0.096826 0.831476 0.130063 Te\n0.099422 0.333525 0.134961 Te\n0.146225 0.660734 0.369002 Te\n0.606899 0.832939 0.124211 Te\n0.353775 0.839266 0.630998 Te\n0.145413 0.168524 0.369937 Te\n0.604494 0.339266 0.130998 Te\n0.650857 0.666475 0.365039 Te\n0.354587 0.331476 0.630063 Te\n0.403174 0.668524 0.869937 Te\n0.648170 0.167061 0.375789 Te\n0.400578 0.166475 0.865039 Te\n0.849143 0.833525 0.634961 Te\n0.851830 0.332939 0.624211 Te\n0.893101 0.667061 0.875789 Te\n0.895506 0.160734 0.869002 Te\n","nsites":26,"nelements":3,"elements":["Ti","Cr","Te"],"chemical_system":"Cr-Te-Ti","density":6.349468921300807,"density_atomic":0.03931822021292285,"volume":661.2710305603939,"volume_molar":15.316412409788285,"formula_full":"Ti8 Cr2 Te16","formula_reduced":"Ti4CrTe8","formula_anonymous":"AB4C8","energy":-155.69560545000002,"energy_per_atom":-5.988292517307693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.94360545,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.884292,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.567000Z","spacegroup":15},{"id":"mp-864634","created_at":"2022-09-04T14:45:10.497356Z","structure_string":"Eu1 Cd3\n1.0\n0.000000 3.705226 3.705226\n3.705226 0.000000 3.705226\n3.705226 3.705226 0.000000\nEu Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n","nsites":4,"nelements":2,"elements":["Eu","Cd"],"chemical_system":"Cd-Eu","density":7.98470321152528,"density_atomic":0.03931749923507007,"volume":101.73587023134257,"volume_molar":15.31669327185597,"formula_full":"Eu1 Cd3","formula_reduced":"EuCd3","formula_anonymous":"AB3","energy":-14.12722858,"energy_per_atom":-3.531807145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.12722858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0579613,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.760000Z","spacegroup":225},{"id":"mp-1018276","created_at":"2022-09-04T14:40:13.745460Z","structure_string":"Ce2 Ga2\n1.0\n2.210226 -5.566600 0.000000\n2.210226 5.566600 0.000000\n0.000000 0.000000 4.134524\nCe Ga\n2 2\ndirect\n0.857529 0.142471 0.250000 Ce\n0.142471 0.857529 0.750000 Ce\n0.572079 0.427921 0.250000 Ga\n0.427921 0.572079 0.750000 Ga\n","nsites":4,"nelements":2,"elements":["Ce","Ga"],"chemical_system":"Ce-Ga","density":6.8498819888692495,"density_atomic":0.03931676527300913,"volume":101.73776942799489,"volume_molar":15.316979202595249,"formula_full":"Ce2 Ga2","formula_reduced":"CeGa","formula_anonymous":"AB","energy":-19.81426293,"energy_per_atom":-4.9535657325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.81426293,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0662658,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.777000Z","spacegroup":63},{"id":"mp-1180390","created_at":"2022-09-04T14:45:36.281255Z","structure_string":"Mg4 Te4 I24 O24\n1.0\n11.251342 0.000000 0.000000\n0.000000 11.251342 0.000000\n0.000000 0.000000 11.251342\nMg Te I O\n4 4 24 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.021063 0.230104 0.684894 I\n0.978937 0.730104 0.815106 I\n0.478937 0.769896 0.184894 I\n0.521063 0.269896 0.315106 I\n0.684894 0.021063 0.230104 I\n0.815106 0.978937 0.730104 I\n0.184894 0.478937 0.769896 I\n0.315106 0.521063 0.269896 I\n0.230104 0.684894 0.021063 I\n0.730104 0.815106 0.978937 I\n0.769896 0.184894 0.478937 I\n0.269896 0.315106 0.521063 I\n0.978937 0.769896 0.315106 I\n0.021063 0.269896 0.184894 I\n0.521063 0.230104 0.815106 I\n0.478937 0.730104 0.684894 I\n0.315106 0.978937 0.769896 I\n0.184894 0.021063 0.269896 I\n0.815106 0.521063 0.230104 I\n0.684894 0.478937 0.730104 I\n0.769896 0.315106 0.978937 I\n0.269896 0.184894 0.021063 I\n0.230104 0.815106 0.521063 I\n0.730104 0.684894 0.478937 I\n0.937683 0.141220 0.108912 O\n0.062317 0.641220 0.391088 O\n0.562317 0.858780 0.608912 O\n0.437683 0.358780 0.891088 O\n0.108912 0.937683 0.141220 O\n0.391088 0.062317 0.641220 O\n0.608912 0.562317 0.858780 O\n0.891088 0.437683 0.358780 O\n0.141220 0.108912 0.937683 O\n0.641220 0.391088 0.062317 O\n0.858780 0.608912 0.562317 O\n0.358780 0.891088 0.437683 O\n0.062317 0.858780 0.891088 O\n0.937683 0.358780 0.608912 O\n0.437683 0.141220 0.391088 O\n0.562317 0.641220 0.108912 O\n0.891088 0.062317 0.858780 O\n0.608912 0.937683 0.358780 O\n0.391088 0.437683 0.141220 O\n0.108912 0.562317 0.641220 O\n0.858780 0.891088 0.062317 O\n0.358780 0.608912 0.937683 O\n0.141220 0.391088 0.437683 O\n0.641220 0.108912 0.562317 O\n","nsites":56,"nelements":4,"elements":["Mg","Te","I","O"],"chemical_system":"I-Mg-O-Te","density":4.7068301548292935,"density_atomic":0.03931651809936131,"volume":1424.3377264099515,"volume_molar":15.317075496819818,"formula_full":"Mg4 Te4 I24 O24","formula_reduced":"MgTe(IO)6","formula_anonymous":"ABC6D6","energy":-200.49480948,"energy_per_atom":-3.5802644549999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.00680948,"band_gap":0.2470999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001124,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.061000Z","spacegroup":205},{"id":"mp-1187788","created_at":"2022-09-04T14:43:59.513100Z","structure_string":"Y3 Si1\n1.0\n4.668333 0.000000 0.000000\n0.000000 4.668333 0.000000\n0.000000 0.000000 4.668333\nY Si\n3 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":2,"elements":["Y","Si"],"chemical_system":"Si-Y","density":4.811667265513925,"density_atomic":0.039316469179301664,"volume":101.73853561870246,"volume_molar":15.317094555302498,"formula_full":"Y3 Si1","formula_reduced":"Y3Si","formula_anonymous":"AB3","energy":-25.701873,"energy_per_atom":-6.42546825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.772873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0498307,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.591000Z","spacegroup":221}]}