{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=46","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=44","results":[{"id":"mp-1096165","created_at":"2022-09-04T14:48:04.309566Z","structure_string":"Y2 Mg1 Cd1\n1.0\n-6.244110 6.405315 8.802854\n6.244110 -6.405315 8.802854\n6.244110 6.405315 -8.802854\nY Mg Cd\n2 1 1\ndirect\n0.260024 0.000000 0.260024 Y\n0.739976 0.000000 0.739976 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Y","Mg","Cd"],"chemical_system":"Cd-Mg-Y","density":0.3708629673149333,"density_atomic":0.0028403081733197034,"volume":1408.297887382012,"volume_molar":212.0242027456276,"formula_full":"Y2 Mg1 Cd1","formula_reduced":"Y2MgCd","formula_anonymous":"ABC2","energy":-6.69159209,"energy_per_atom":-1.6728980225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.69159209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.879193,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.470000Z","spacegroup":71},{"id":"mp-1097677","created_at":"2022-09-04T14:40:54.469316Z","structure_string":"Na1 Mg2 Cd1\n1.0\n-6.243948 6.313858 8.926340\n6.243948 -6.313858 8.926340\n6.243948 6.313858 -8.926340\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254479 0.254479 Mg\n0.000000 0.745521 0.745521 Mg\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Na","Mg","Cd"],"chemical_system":"Cd-Mg-Na","density":0.217072513164477,"density_atomic":0.0028416624417585573,"volume":1407.6267262499368,"volume_molar":211.92315707537767,"formula_full":"Na1 Mg2 Cd1","formula_reduced":"NaMg2Cd","formula_anonymous":"ABC2","energy":-1.66518687,"energy_per_atom":-0.4162967175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.66518687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013551,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.138000Z","spacegroup":71},{"id":"mp-1095768","created_at":"2022-09-04T14:45:53.239139Z","structure_string":"Y2 Zn1 Cd1\n1.0\n-6.192127 6.335485 8.967926\n6.192127 -6.335485 8.967926\n6.192127 6.335485 -8.967926\nY Zn Cd\n2 1 1\ndirect\n0.000000 0.242563 0.242563 Y\n0.000000 0.757437 0.757437 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Y","Zn","Cd"],"chemical_system":"Cd-Y-Zn","density":0.41964092325499497,"density_atomic":0.0028424200760182646,"volume":1407.251529690609,"volume_molar":211.86666991305418,"formula_full":"Y2 Zn1 Cd1","formula_reduced":"Y2ZnCd","formula_anonymous":"ABC2","energy":-6.78189375,"energy_per_atom":-1.6954734375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.78189375,"band_gap":0.0270999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995516,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.128000Z","spacegroup":71},{"id":"mp-1182706","created_at":"2022-09-04T14:43:59.131573Z","structure_string":"Nb12 Al8 N4\n1.0\n20.362438 -0.000000 -0.000000\n-0.000000 20.362438 -0.000000\n0.000000 -0.000000 20.362438\nNb Al N\n12 8 4\ndirect\n0.559712 0.375000 0.809712 Nb\n0.375000 0.809712 0.559712 Nb\n0.309712 0.940288 0.625000 Nb\n0.190288 0.059712 0.125000 Nb\n0.059712 0.125000 0.190288 Nb\n0.940288 0.625000 0.309712 Nb\n0.875000 0.690288 0.440288 Nb\n0.809712 0.559712 0.375000 Nb\n0.690288 0.440288 0.875000 Nb\n0.125000 0.190288 0.059712 Nb\n0.625000 0.309712 0.940288 Nb\n0.440288 0.875000 0.690288 Nb\n0.567325 0.432675 0.932675 Al\n0.067325 0.067325 0.067325 Al\n0.432675 0.932675 0.567325 Al\n0.682675 0.317325 0.817325 Al\n0.817325 0.682675 0.317325 Al\n0.182675 0.182675 0.182675 Al\n0.932675 0.567325 0.432675 Al\n0.317325 0.817325 0.682675 Al\n0.875000 0.625000 0.375000 N\n0.625000 0.375000 0.875000 N\n0.125000 0.125000 0.125000 N\n0.375000 0.875000 0.625000 N\n","nsites":24,"nelements":3,"elements":["Nb","Al","N"],"chemical_system":"Al-N-Nb","density":0.2727468367355145,"density_atomic":0.0028426403529122567,"volume":8442.854888558884,"volume_molar":211.85025231314884,"formula_full":"Nb12 Al8 N4","formula_reduced":"Nb3Al2N","formula_anonymous":"AB2C3","energy":-127.91740184,"energy_per_atom":-5.3298917433333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.47340183999998,"band_gap":0.0041999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":23.9999576,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.008000Z","spacegroup":212},{"id":"mp-1096199","created_at":"2022-09-04T14:47:32.808151Z","structure_string":"Y2 Pb1 Au1\n1.0\n-5.736180 6.596183 9.280432\n5.736180 -6.596183 9.280432\n5.736180 6.596183 -9.280432\nY Pb Au\n2 1 1\ndirect\n0.000000 0.250930 0.250930 Y\n0.000000 0.749070 0.749070 Y\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Y","Pb","Au"],"chemical_system":"Au-Pb-Y","density":0.688037667411853,"density_atomic":0.002847844947810679,"volume":1404.5708503459982,"volume_molar":211.4630842044124,"formula_full":"Y2 Pb1 Au1","formula_reduced":"Y2PbAu","formula_anonymous":"ABC2","energy":-13.50722327,"energy_per_atom":-3.3768058175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.50722327,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0902194,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.603000Z","spacegroup":71},{"id":"mp-1096593","created_at":"2022-09-04T14:45:19.777629Z","structure_string":"La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n","nsites":4,"nelements":3,"elements":["La","Y","Hg"],"chemical_system":"Hg-La-Y","density":0.7452714966998385,"density_atomic":0.002854176022075029,"volume":1401.4552603143024,"volume_molar":210.9940211613793,"formula_full":"La1 Y1 Hg2","formula_reduced":"LaYHg2","formula_anonymous":"ABC2","energy":-5.11738187,"energy_per_atom":-1.2793454675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.11738187,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.393317,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.764000Z","spacegroup":71},{"id":"mp-1093656","created_at":"2022-09-04T14:45:22.313918Z","structure_string":"Ca2 Ag1 Rh1\n1.0\n-5.376820 6.755176 9.638971\n5.376820 -6.755176 9.638971\n5.376820 6.755176 -9.638971\nCa Ag Rh\n2 1 1\ndirect\n0.000000 0.218251 0.218251 Ca\n0.000000 0.781749 0.781749 Ca\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Ca","Ag","Rh"],"chemical_system":"Ag-Ca-Rh","density":0.3449723801448868,"density_atomic":0.002856321966801832,"volume":1400.402351867469,"volume_molar":210.8355020895237,"formula_full":"Ca2 Ag1 Rh1","formula_reduced":"Ca2AgRh","formula_anonymous":"ABC2","energy":-9.35288872,"energy_per_atom":-2.33822218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.35288872,"band_gap":0.4205000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.234000Z","spacegroup":71},{"id":"mp-1096533","created_at":"2022-09-04T14:47:24.200500Z","structure_string":"Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Tl","Hg"],"chemical_system":"Hg-Mg-Tl","density":0.5380670646177989,"density_atomic":0.002857526370629769,"volume":1399.8121036126927,"volume_molar":210.74663813768348,"formula_full":"Mg2 Tl1 Hg1","formula_reduced":"Mg2TlHg","formula_anonymous":"ABC2","energy":-1.75022188,"energy_per_atom":-0.43755547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.75022188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998618,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.578000Z","spacegroup":71},{"id":"mp-689577","created_at":"2022-09-04T14:48:16.503225Z","structure_string":"Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n","nsites":1,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":0.10912172706669088,"density_atomic":0.0028584297327798594,"volume":349.8424287055982,"volume_molar":210.68003494853767,"formula_full":"Na1","formula_reduced":"Na","formula_anonymous":"A","energy":-0.23878791,"energy_per_atom":-0.23878791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.23878791,"band_gap":1.1572999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999907,"is_theoretical":false,"updated_at":"2021-11-28T01:38:48.306000Z","spacegroup":221},{"id":"mp-1095872","created_at":"2022-09-04T14:41:58.259287Z","structure_string":"Y2 Be1 Pb1\n1.0\n-5.683609 6.572650 9.364731\n5.683609 -6.572650 9.364731\n5.683609 6.572650 -9.364731\nY Be Pb\n2 1 1\ndirect\n0.000000 0.246859 0.246859 Y\n0.000000 0.753141 0.753141 Y\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Y","Be","Pb"],"chemical_system":"Be-Pb-Y","density":0.4675753903844146,"density_atomic":0.0028585118277475144,"volume":1399.3295256546025,"volume_molar":210.67398432790122,"formula_full":"Y2 Be1 Pb1","formula_reduced":"Y2BePb","formula_anonymous":"ABC2","energy":-11.08469074,"energy_per_atom":-2.771172685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.08469074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6993494,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.635000Z","spacegroup":71},{"id":"mp-1095981","created_at":"2022-09-04T14:42:22.932092Z","structure_string":"Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n","nsites":4,"nelements":3,"elements":["Na","Mg","Cd"],"chemical_system":"Cd-Mg-Na","density":0.32292717663534454,"density_atomic":0.0028586447189492066,"volume":1399.2644743451497,"volume_molar":210.6641906243475,"formula_full":"Na1 Mg1 Cd2","formula_reduced":"NaMgCd2","formula_anonymous":"ABC2","energy":-1.71110916,"energy_per_atom":-0.42777729,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.71110916,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0315417,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.610000Z","spacegroup":71},{"id":"mp-1095862","created_at":"2022-09-04T14:40:22.790547Z","structure_string":"La2 Cd1 Ir1\n1.0\n-5.733746 6.569143 9.277575\n5.733746 -6.569143 9.277575\n5.733746 6.569143 -9.277575\nLa Cd Ir\n2 1 1\ndirect\n0.000000 0.288095 0.288095 La\n0.000000 0.711905 0.711905 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["La","Cd","Ir"],"chemical_system":"Cd-Ir-La","density":0.691923162396687,"density_atomic":0.002861662155004379,"volume":1397.7890412412708,"volume_molar":210.44205897850944,"formula_full":"La2 Cd1 Ir1","formula_reduced":"La2CdIr","formula_anonymous":"ABC2","energy":-13.56876209,"energy_per_atom":-3.3921905225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.56876209,"band_gap":0.0348999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0005138,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.127000Z","spacegroup":71}]}