{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12137","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=12135","results":[{"id":"mp-21848","created_at":"2022-09-04T14:44:23.143000Z","structure_string":"F8\n1.0\n4.462100 0.000000 0.000000\n0.000000 4.462100 0.000000\n0.000000 0.000000 4.462100\nF\n8\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.500000 0.000000 F\n0.750000 0.500000 0.000000 F\n0.500000 0.000000 0.250000 F\n0.500000 0.000000 0.750000 F\n0.000000 0.750000 0.500000 F\n0.000000 0.250000 0.500000 F\n","nsites":8,"nelements":1,"elements":["F"],"chemical_system":"F","density":2.840784487651501,"density_atomic":0.09004758915409188,"volume":88.84191209506102,"volume_molar":6.6877312503000494,"formula_full":"F8","formula_reduced":"F","formula_anonymous":"A","energy":-9.20466202,"energy_per_atom":-1.1505827525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.20466202,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9212753,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.188000Z","spacegroup":223},{"id":"mp-1095904","created_at":"2022-09-04T14:42:44.022552Z","structure_string":"Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Ba","Hg","Au"],"chemical_system":"Au-Ba-Hg","density":0.6329837799106102,"density_atomic":0.002268287705387668,"volume":1763.4447299163794,"volume_molar":265.4928096509155,"formula_full":"Ba2 Hg1 Au1","formula_reduced":"Ba2HgAu","formula_anonymous":"ABC2","energy":-4.59811705,"energy_per_atom":-1.1495292625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.59811705,"band_gap":0.2661,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0001926,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.271000Z","spacegroup":71},{"id":"mp-1016231","created_at":"2022-09-04T14:39:22.643847Z","structure_string":"Cs1 Mg3\n1.0\n3.752604 0.000000 0.000000\n0.000000 4.900757 0.000000\n0.000000 0.000000 8.434517\nCs Mg\n1 3\ndirect\n0.500000 0.000000 0.137593 Cs\n0.000000 0.000000 0.664189 Mg\n0.000000 0.500000 0.449180 Mg\n0.500000 0.500000 0.749038 Mg\n","nsites":4,"nelements":2,"elements":["Cs","Mg"],"chemical_system":"Cs-Mg","density":2.203339909102662,"density_atomic":0.025787180927528144,"volume":155.11583104960297,"volume_molar":23.35323421712719,"formula_full":"Cs1 Mg3","formula_reduced":"CsMg3","formula_anonymous":"AB3","energy":-4.59153634,"energy_per_atom":-1.147884085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.59153634,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018796,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.993000Z","spacegroup":25},{"id":"mp-1093734","created_at":"2022-09-04T14:42:14.199620Z","structure_string":"Sr2 Li1 Pb1\n1.0\n-6.752733 6.890438 9.769051\n6.752733 -6.890438 9.769051\n6.752733 6.890438 -9.769051\nSr Li Pb\n2 1 1\ndirect\n0.739434 0.000000 0.739434 Sr\n0.260566 0.000000 0.260566 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Li","Pb"],"chemical_system":"Li-Pb-Sr","density":0.3556190994494182,"density_atomic":0.0021999925775206515,"volume":1818.1879524829676,"volume_molar":273.73459444971553,"formula_full":"Sr2 Li1 Pb1","formula_reduced":"Sr2LiPb","formula_anonymous":"ABC2","energy":-4.58924092,"energy_per_atom":-1.14731023,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.58924092,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999237,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.552000Z","spacegroup":71},{"id":"mp-1094839","created_at":"2022-09-04T14:40:19.943286Z","structure_string":"Mg1 Cd3\n1.0\n4.451600 0.000000 0.000000\n0.000000 4.451600 0.000000\n0.000000 0.000000 4.451600\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":6.80541552430542,"density_atomic":0.045343139843468015,"volume":88.21621118009601,"volume_molar":13.281261026010597,"formula_full":"Mg1 Cd3","formula_reduced":"MgCd3","formula_anonymous":"AB3","energy":-4.58710499,"energy_per_atom":-1.1467762475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.58710499,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000895,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.841000Z","spacegroup":221},{"id":"mp-867770","created_at":"2022-09-04T14:43:13.954682Z","structure_string":"Ba2 Hg6\n1.0\n3.708772 -6.423781 0.000000\n3.708772 6.423781 0.000000\n0.000000 0.000000 5.353782\nBa Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.148160 0.296320 0.250000 Hg\n0.703680 0.851840 0.250000 Hg\n0.148160 0.851840 0.250000 Hg\n0.851840 0.703680 0.750000 Hg\n0.296320 0.148160 0.750000 Hg\n0.851840 0.148160 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["Ba","Hg"],"chemical_system":"Ba-Hg","density":9.622080626508689,"density_atomic":0.03136017272803383,"volume":255.10063574517724,"volume_molar":19.20314920528681,"formula_full":"Ba2 Hg6","formula_reduced":"BaHg3","formula_anonymous":"AB3","energy":-9.16936091,"energy_per_atom":-1.14617011375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.16936091,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.91e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.152000Z","spacegroup":194},{"id":"mp-1093677","created_at":"2022-09-04T14:45:23.935607Z","structure_string":"Li1 Ag2 Hg1\n1.0\n-5.375072 5.795618 8.201091\n5.375072 -5.795618 8.201091\n5.375072 5.795618 -8.201091\nLi Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244359 0.244359 Ag\n0.000000 0.755641 0.755641 Ag\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","Ag","Hg"],"chemical_system":"Ag-Hg-Li","density":0.6877779638033747,"density_atomic":0.003914211877485918,"volume":1021.9170870661154,"volume_molar":153.85321358403306,"formula_full":"Li1 Ag2 Hg1","formula_reduced":"LiAg2Hg","formula_anonymous":"ABC2","energy":-4.5750338,"energy_per_atom":-1.14375845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.5750338,"band_gap":0.4537999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.790277,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.948000Z","spacegroup":71},{"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},{"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-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-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-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}]}