{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=59","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=57","results":[{"id":"mp-973622","created_at":"2022-09-04T14:41:01.191531Z","structure_string":"K3 Sr1\n1.0\n0.000000 5.165856 5.165856\n5.165856 0.000000 5.165856\n5.165856 5.165856 0.000000\nK Sr\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sr\n","nsites":4,"nelements":2,"elements":["K","Sr"],"chemical_system":"K-Sr","density":1.2341437624173681,"density_atomic":0.014507851713900342,"volume":275.71277118634305,"volume_molar":41.50952793534575,"formula_full":"K3 Sr1","formula_reduced":"K3Sr","formula_anonymous":"AB3","energy":-4.55105778,"energy_per_atom":-1.137764445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.55105778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.614000Z","spacegroup":225},{"id":"mp-1184919","created_at":"2022-09-04T14:48:17.956136Z","structure_string":"K6 Na2\n1.0\n4.521842 -7.832060 0.000000\n4.521842 7.832060 0.000000\n0.000000 0.000000 7.097241\nK Na\n6 2\ndirect\n0.828309 0.171691 0.750000 K\n0.343382 0.171691 0.750000 K\n0.828309 0.656618 0.750000 K\n0.171691 0.828309 0.250000 K\n0.656618 0.828309 0.250000 K\n0.171691 0.343382 0.250000 K\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n","nsites":8,"nelements":2,"elements":["K","Na"],"chemical_system":"K-Na","density":0.9267836598550847,"density_atomic":0.01591398884650536,"volume":502.70237569990286,"volume_molar":37.84180583564023,"formula_full":"K6 Na2","formula_reduced":"K3Na","formula_anonymous":"AB3","energy":-9.10727023,"energy_per_atom":-1.13840877875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.10727023,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0123383,"is_theoretical":true,"updated_at":"2021-11-28T01:38:59.208000Z","spacegroup":194},{"id":"mp-1096623","created_at":"2022-09-04T14:43:09.630418Z","structure_string":"Ba1 Ca1 In2\n1.0\n-6.551808 6.671395 9.956290\n6.551808 -6.671395 9.956290\n6.551808 6.671395 -9.956290\nBa Ca In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243411 0.243411 In\n0.000000 0.756589 0.756589 In\n","nsites":4,"nelements":3,"elements":["Ba","Ca","In"],"chemical_system":"Ba-Ca-In","density":0.3882861570947227,"density_atomic":0.0022978657127827066,"volume":1740.7457614901332,"volume_molar":262.0754000766742,"formula_full":"Ba1 Ca1 In2","formula_reduced":"BaCaIn2","formula_anonymous":"ABC2","energy":-4.55423677,"energy_per_atom":-1.1385591925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.55423677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8405212,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.747000Z","spacegroup":71},{"id":"mp-1097224","created_at":"2022-09-04T14:47:15.872699Z","structure_string":"Cd2 In1 Bi1\n1.0\n-5.902989 6.078707 8.572806\n5.902989 -6.078707 8.572806\n5.902989 6.078707 -8.572806\nCd In Bi\n2 1 1\ndirect\n0.000000 0.253310 0.253310 Cd\n0.000000 0.746690 0.746690 Cd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Cd","In","Bi"],"chemical_system":"Bi-Cd-In","density":0.7403803405416477,"density_atomic":0.0032508267124003115,"volume":1230.456235868236,"volume_molar":185.24951628545693,"formula_full":"Cd2 In1 Bi1","formula_reduced":"Cd2InBi","formula_anonymous":"ABC2","energy":-4.55966401,"energy_per_atom":-1.1399160025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.55966401,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3603273,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.661000Z","spacegroup":71},{"id":"mp-1093956","created_at":"2022-09-04T14:47:06.927009Z","structure_string":"Tl1 In2 Hg1\n1.0\n-5.973035 6.166997 8.718019\n5.973035 -6.166997 8.718019\n5.973035 6.166997 -8.718019\nTl In Hg\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.253245 0.253245 In\n0.000000 0.746755 0.746755 In\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Tl","In","Hg"],"chemical_system":"Hg-In-Tl","density":0.8203684135488111,"density_atomic":0.0031139625991337466,"volume":1284.536943736169,"volume_molar":193.39155716498524,"formula_full":"Tl1 In2 Hg1","formula_reduced":"TlIn2Hg","formula_anonymous":"ABC2","energy":-4.56012863,"energy_per_atom":-1.1400321575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.56012863,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.7550308,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.584000Z","spacegroup":71},{"id":"mp-1039056","created_at":"2022-09-04T14:47:08.519272Z","structure_string":"Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n","nsites":6,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":6.1003529734261255,"density_atomic":0.04423910411679856,"volume":135.62661631119397,"volume_molar":13.612709570475369,"formula_full":"Mg2 Cd4","formula_reduced":"MgCd2","formula_anonymous":"AB2","energy":-6.84255171,"energy_per_atom":-1.140425285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.84255171,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.16e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.551000Z","spacegroup":164},{"id":"mp-1184019","created_at":"2022-09-04T14:43:11.644658Z","structure_string":"Cs1 Yb3\n1.0\n-2.975678 2.975678 5.830868\n2.975678 -2.975678 5.830868\n2.975678 2.975678 -5.830868\nCs Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n","nsites":4,"nelements":2,"elements":["Cs","Yb"],"chemical_system":"Cs-Yb","density":5.242622375708762,"density_atomic":0.01936845245347657,"volume":206.5214043098221,"volume_molar":31.09252416766548,"formula_full":"Cs1 Yb3","formula_reduced":"CsYb3","formula_anonymous":"AB3","energy":-4.56206119,"energy_per_atom":-1.1405152975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.56206119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1683057,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.847000Z","spacegroup":139},{"id":"mp-1021376","created_at":"2022-09-04T14:39:16.117057Z","structure_string":"Cs2 K2 Mg12\n1.0\n5.464772 0.000000 0.000000\n0.000000 7.837913 0.000000\n0.000000 0.000000 12.354110\nCs K Mg\n2 2 12\ndirect\n0.500000 0.500000 0.172545 Cs\n0.500000 0.000000 0.672545 Cs\n0.000000 0.500000 0.336578 K\n0.000000 0.000000 0.836578 K\n0.000000 0.797487 0.079248 Mg\n0.000000 0.202513 0.079248 Mg\n0.000000 0.500000 0.831406 Mg\n0.500000 0.701816 0.918452 Mg\n0.500000 0.298184 0.918452 Mg\n0.500000 0.500000 0.664071 Mg\n0.000000 0.297487 0.579248 Mg\n0.000000 0.702513 0.579248 Mg\n0.000000 0.000000 0.331406 Mg\n0.500000 0.201816 0.418452 Mg\n0.500000 0.798184 0.418452 Mg\n0.500000 0.000000 0.164071 Mg\n","nsites":16,"nelements":3,"elements":["Cs","K","Mg"],"chemical_system":"Cs-K-Mg","density":1.9947807020933315,"density_atomic":0.030236814323655985,"volume":529.156273830153,"volume_molar":19.91658478151429,"formula_full":"Cs2 K2 Mg12","formula_reduced":"CsKMg6","formula_anonymous":"ABC6","energy":-18.27993275,"energy_per_atom":-1.142495796875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.27993275,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0082545,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.463000Z","spacegroup":38},{"id":"mp-1184651","created_at":"2022-09-04T14:47:05.366188Z","structure_string":"Hg3 Sb1\n1.0\n0.000000 3.759896 3.759896\n3.759896 0.000000 3.759896\n3.759896 3.759896 0.000000\nHg Sb\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":2,"elements":["Hg","Sb"],"chemical_system":"Hg-Sb","density":11.301813798574079,"density_atomic":0.03762725170309115,"volume":106.3059303816067,"volume_molar":16.0047319095199,"formula_full":"Hg3 Sb1","formula_reduced":"Hg3Sb","formula_anonymous":"AB3","energy":-4.5711322800000005,"energy_per_atom":-1.1427830700000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.37913228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017931,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.596000Z","spacegroup":225},{"id":"mp-1097225","created_at":"2022-09-04T14:47:07.659335Z","structure_string":"Mg2 Ga1 Pb1\n1.0\n-5.625234 6.224710 8.778309\n5.625234 -6.224710 8.778309\n5.625234 6.224710 -8.778309\nMg Ga Pb\n2 1 1\ndirect\n0.000000 0.247753 0.247753 Mg\n0.000000 0.752247 0.752247 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Mg","Ga","Pb"],"chemical_system":"Ga-Mg-Pb","density":0.43965654871067694,"density_atomic":0.003253339751492441,"volume":1229.50577115871,"volume_molar":185.10642047875254,"formula_full":"Mg2 Ga1 Pb1","formula_reduced":"Mg2GaPb","formula_anonymous":"ABC2","energy":-4.57327781,"energy_per_atom":-1.1433194525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.57327781,"band_gap":0.1391,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999707,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.531000Z","spacegroup":71},{"id":"mp-1094771","created_at":"2022-09-04T14:44:04.279989Z","structure_string":"Mg1 Cd3\n1.0\n-2.274842 2.274842 4.278637\n2.274842 -2.274842 4.278637\n2.274842 2.274842 -4.278637\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n","nsites":4,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":6.7785240144791645,"density_atomic":0.04516396702348384,"volume":88.56617927119038,"volume_molar":13.333949953662566,"formula_full":"Mg1 Cd3","formula_reduced":"MgCd3","formula_anonymous":"AB3","energy":-4.57475189,"energy_per_atom":-1.1436879725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.57475189,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003095,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.781000Z","spacegroup":139},{"id":"mp-1184685","created_at":"2022-09-04T14:45:55.477349Z","structure_string":"Hg6 P2\n1.0\n2.990716 -5.180072 0.000000\n2.990716 5.180072 0.000000\n0.000000 0.000000 6.053852\nHg P\n6 2\ndirect\n0.831516 0.168484 0.750000 Hg\n0.336968 0.168484 0.750000 Hg\n0.831516 0.663032 0.750000 Hg\n0.168484 0.831516 0.250000 Hg\n0.663032 0.831516 0.250000 Hg\n0.168484 0.336968 0.250000 Hg\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n","nsites":8,"nelements":2,"elements":["Hg","P"],"chemical_system":"Hg-P","density":11.20299649069458,"density_atomic":0.042649821855731615,"volume":187.574054284705,"volume_molar":14.119966972829683,"formula_full":"Hg6 P2","formula_reduced":"Hg3P","formula_anonymous":"AB3","energy":-9.14978412,"energy_per_atom":-1.143723015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.14978412,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007272,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.472000Z","spacegroup":194}]}