{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10133","results":[{"id":"mp-1021277","created_at":"2022-09-04T14:39:37.167592Z","structure_string":"Li2 Mg12 Sb2\n1.0\n5.081773 0.000000 0.000000\n0.000000 6.429496 0.000000\n0.000000 0.000000 11.035660\nLi Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.334458 Li\n0.000000 0.000000 0.834458 Li\n0.000000 0.245147 0.080740 Mg\n0.000000 0.754853 0.080740 Mg\n0.000000 0.500000 0.834772 Mg\n0.500000 0.248600 0.915761 Mg\n0.500000 0.751400 0.915761 Mg\n0.500000 0.500000 0.667032 Mg\n0.000000 0.745147 0.580740 Mg\n0.000000 0.254853 0.580740 Mg\n0.000000 0.000000 0.334772 Mg\n0.500000 0.748600 0.415761 Mg\n0.500000 0.251400 0.415761 Mg\n0.500000 0.000000 0.167032 Mg\n0.500000 0.500000 0.170737 Sb\n0.500000 0.000000 0.670737 Sb\n","nsites":16,"nelements":3,"elements":["Li","Mg","Sb"],"chemical_system":"Li-Mg-Sb","density":2.528599114360673,"density_atomic":0.04437409195334192,"volume":360.5707586495187,"volume_molar":13.571299140796182,"formula_full":"Li2 Mg12 Sb2","formula_reduced":"LiMg6Sb","formula_anonymous":"ABC6","energy":-33.24742474,"energy_per_atom":-2.07796404625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.86342474,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031941,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.164000Z","spacegroup":38},{"id":"mp-1184364","created_at":"2022-09-04T14:44:50.870759Z","structure_string":"Fe3 Rh1\n1.0\n0.000000 2.946044 2.946044\n2.946044 0.000000 2.946044\n2.946044 2.946044 0.000000\nFe Rh\n3 1\ndirect\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Rh\n","nsites":4,"nelements":2,"elements":["Fe","Rh"],"chemical_system":"Fe-Rh","density":8.781589772713986,"density_atomic":0.07821900895189235,"volume":51.138464340044905,"volume_molar":7.699075762649773,"formula_full":"Fe3 Rh1","formula_reduced":"Fe3Rh","formula_anonymous":"AB3","energy":-32.86319336,"energy_per_atom":-8.21579834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.86319336,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.2930064,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.303000Z","spacegroup":225},{"id":"mp-1112002","created_at":"2022-09-04T14:45:59.536980Z","structure_string":"Cs2 Tl1 Ga1 Cl6\n1.0\n0.000000 5.482672 5.482672\n5.482672 0.000000 5.482672\n5.482672 5.482672 0.000000\nCs Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.780475 0.219525 0.219525 Cl\n0.219525 0.219525 0.780475 Cl\n0.219525 0.780475 0.780475 Cl\n0.219525 0.780475 0.219525 Cl\n0.780475 0.219525 0.780475 Cl\n0.780475 0.780475 0.219525 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Tl","Ga","Cl"],"chemical_system":"Cl-Cs-Ga-Tl","density":3.7916377175775997,"density_atomic":0.03033843745121439,"volume":329.61486616047586,"volume_molar":19.849871206069466,"formula_full":"Cs2 Tl1 Ga1 Cl6","formula_reduced":"Cs2TlGaCl6","formula_anonymous":"ABC2D6","energy":-36.54159013,"energy_per_atom":-3.654159013,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85759013,"band_gap":2.6597,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001188,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.345000Z","spacegroup":225},{"id":"mp-571339","created_at":"2022-09-04T14:42:18.321414Z","structure_string":"Ba1 Cr2 As2\n1.0\n-2.065104 2.065104 6.496691\n2.065104 -2.065104 6.496691\n2.065104 2.065104 -6.496691\nBa Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.351788 0.351788 0.000000 As\n0.648212 0.648212 0.000000 As\n","nsites":5,"nelements":3,"elements":["Ba","Cr","As"],"chemical_system":"As-Ba-Cr","density":5.860978677362443,"density_atomic":0.04511634886000377,"volume":110.82457083384611,"volume_molar":13.348023304560238,"formula_full":"Ba1 Cr2 As2","formula_reduced":"Ba(CrAs)2","formula_anonymous":"AB2C2","energy":-32.85743879,"energy_per_atom":-6.571487758000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85743879,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6603562,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.775000Z","spacegroup":139},{"id":"mp-1024983","created_at":"2022-09-04T14:42:28.506933Z","structure_string":"Er1 In1 Ni4\n1.0\n0.000000 3.508796 3.508796\n3.508796 0.000000 3.508796\n3.508796 3.508796 0.000000\nEr In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 In\n0.625838 0.625838 0.625838 Ni\n0.625838 0.625838 0.122486 Ni\n0.625838 0.122486 0.625838 Ni\n0.122486 0.625838 0.625838 Ni\n","nsites":6,"nelements":3,"elements":["Er","In","Ni"],"chemical_system":"Er-In-Ni","density":9.933670923273977,"density_atomic":0.06944594579263128,"volume":86.39813212302228,"volume_molar":8.671695217431964,"formula_full":"Er1 In1 Ni4","formula_reduced":"ErInNi4","formula_anonymous":"ABC4","energy":-32.85714659,"energy_per_atom":-5.4761910983333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85714659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0301005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.948000Z","spacegroup":216},{"id":"mp-1215792","created_at":"2022-09-04T14:47:57.757577Z","structure_string":"Zn1 Cu2 Sn1 Se1 S3\n1.0\n5.534332 0.000000 0.000000\n-0.003204 5.537886 0.000000\n-2.749071 -2.765905 5.516766\nZn Cu Sn Se S\n1 2 1 1 3\ndirect\n0.245208 0.763369 0.507489 Zn\n0.986544 0.986729 0.991233 Cu\n0.763708 0.245745 0.508767 Cu\n0.504790 0.505317 0.993548 Sn\n0.370704 0.361182 0.260711 Se\n0.888510 0.897124 0.258404 S\n0.104222 0.628470 0.739720 S\n0.636314 0.112065 0.740128 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":4.776596122643641,"density_atomic":0.04731471231816519,"volume":169.08060110784228,"volume_molar":12.727839745710478,"formula_full":"Zn1 Cu2 Sn1 Se1 S3","formula_reduced":"ZnCu2SnSeS3","formula_anonymous":"ABCD2E3","energy":-34.83675259,"energy_per_atom":-4.35459407375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85575259,"band_gap":0.0268999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000529,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.694000Z","spacegroup":1},{"id":"mp-1219723","created_at":"2022-09-04T14:42:04.457530Z","structure_string":"Pr1 Th1 C1 N1\n1.0\n6.191090 -1.876115 0.000000\n6.191090 1.876115 0.000000\n5.622563 0.000000 3.199406\nPr Th C N\n1 1 1 1\ndirect\n0.749970 0.749970 0.749970 Pr\n0.249112 0.249112 0.249112 Th\n0.994649 0.994649 0.994649 C\n0.506270 0.506269 0.506269 N\n","nsites":4,"nelements":4,"elements":["Pr","Th","C","N"],"chemical_system":"C-N-Pr-Th","density":8.913656919005456,"density_atomic":0.05381880712845777,"volume":74.32346076442337,"volume_molar":11.189658562342368,"formula_full":"Pr1 Th1 C1 N1","formula_reduced":"PrThCN","formula_anonymous":"ABCD","energy":-33.21520081,"energy_per_atom":-8.3038002025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85420081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.688000Z","spacegroup":160},{"id":"mp-975341","created_at":"2022-09-04T14:47:28.397850Z","structure_string":"La6 Mg2\n1.0\n3.666200 -6.350044 0.000000\n3.666200 6.350044 0.000000\n0.000000 0.000000 5.749830\nLa Mg\n6 2\ndirect\n0.175380 0.350761 0.250000 La\n0.175380 0.824620 0.250000 La\n0.649239 0.824620 0.250000 La\n0.350761 0.175380 0.750000 La\n0.824620 0.175380 0.750000 La\n0.824620 0.649239 0.750000 La\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n","nsites":8,"nelements":2,"elements":["La","Mg"],"chemical_system":"La-Mg","density":5.470926481387438,"density_atomic":0.029882167734135486,"volume":267.7181947165536,"volume_molar":20.15295815745218,"formula_full":"La6 Mg2","formula_reduced":"La3Mg","formula_anonymous":"AB3","energy":-32.85388396,"energy_per_atom":-4.106735495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85388396,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0123832,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.009000Z","spacegroup":194},{"id":"mp-1028219","created_at":"2022-09-04T14:40:05.658009Z","structure_string":"Mg14 Al1 Fe1\n1.0\n6.213127 0.011671 0.000000\n-3.096456 5.363218 0.000000\n0.000000 0.000000 10.057497\nMg Al Fe\n14 1 1\ndirect\n0.170307 0.335153 0.625000 Mg\n0.167142 0.833570 0.625000 Mg\n0.674782 0.335617 0.125000 Mg\n0.664181 0.333768 0.625000 Mg\n0.674782 0.839164 0.125000 Mg\n0.664181 0.830412 0.625000 Mg\n0.325498 0.156214 0.355422 Mg\n0.325498 0.156214 0.894578 Mg\n0.325498 0.669285 0.355422 Mg\n0.325498 0.669285 0.894578 Mg\n0.835631 0.167816 0.376509 Mg\n0.835631 0.167816 0.873491 Mg\n0.844520 0.672260 0.364088 Mg\n0.844520 0.672260 0.885912 Mg\n0.157795 0.328897 0.125000 Al\n0.164538 0.832269 0.125000 Fe\n","nsites":16,"nelements":3,"elements":["Mg","Al","Fe"],"chemical_system":"Al-Fe-Mg","density":2.094074997090604,"density_atomic":0.047689596102346306,"volume":335.5029462959282,"volume_molar":12.62778729993,"formula_full":"Mg14 Al1 Fe1","formula_reduced":"Mg14AlFe","formula_anonymous":"ABC14","energy":-32.8535912,"energy_per_atom":-2.05334945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.8535912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0217451,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.725000Z","spacegroup":38},{"id":"mp-13610","created_at":"2022-09-04T14:45:57.914474Z","structure_string":"Zn1 Pb1 F6\n1.0\n5.061256 -2.688928 0.000000\n5.061256 2.688928 0.000000\n3.632691 0.000000 4.432854\nZn Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pb\n0.245084 0.626044 0.882538 F\n0.626044 0.882538 0.245084 F\n0.117462 0.754916 0.373956 F\n0.373956 0.117462 0.754916 F\n0.754916 0.373956 0.117462 F\n0.882538 0.245084 0.626044 F\n","nsites":8,"nelements":3,"elements":["Zn","Pb","F"],"chemical_system":"F-Pb-Zn","density":5.320585092093119,"density_atomic":0.06630390170273721,"volume":120.65654953258561,"volume_molar":9.082634061264285,"formula_full":"Zn1 Pb1 F6","formula_reduced":"ZnPbF6","formula_anonymous":"ABC6","energy":-35.6253621,"energy_per_atom":-4.4531702625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.8533621,"band_gap":1.9566,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.32e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.610000Z","spacegroup":148},{"id":"mp-1111777","created_at":"2022-09-04T14:41:49.368886Z","structure_string":"Cs1 Rb2 Sb1 Cl6\n1.0\n0.000000 5.915115 5.915115\n5.915115 0.000000 5.915115\n5.915115 5.915115 0.000000\nCs Rb Sb Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.774909 0.225091 0.225091 Cl\n0.225091 0.225091 0.774909 Cl\n0.225091 0.774909 0.774909 Cl\n0.225091 0.774909 0.225091 Cl\n0.774909 0.225091 0.774909 Cl\n0.774909 0.774909 0.225091 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Sb","Cl"],"chemical_system":"Cl-Cs-Rb-Sb","density":2.5607508843653535,"density_atomic":0.02415908194557193,"volume":413.9230134046083,"volume_molar":24.92702650525918,"formula_full":"Cs1 Rb2 Sb1 Cl6","formula_reduced":"CsRb2SbCl6","formula_anonymous":"ABC2D6","energy":-36.53463203,"energy_per_atom":-3.653463203,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85063203,"band_gap":3.3826,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020116,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.295000Z","spacegroup":225},{"id":"mp-1095099","created_at":"2022-09-04T14:42:53.732172Z","structure_string":"Li1 Pt1 F6\n1.0\n4.842575 -2.520464 0.000000\n4.842575 2.520464 0.000000\n3.530723 0.000000 4.163803\nLi Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pt\n0.386125 0.093582 0.762188 F\n0.762188 0.386125 0.093582 F\n0.093582 0.762188 0.386125 F\n0.613875 0.906418 0.237812 F\n0.237812 0.613875 0.906418 F\n0.906418 0.237812 0.613875 F\n","nsites":8,"nelements":3,"elements":["Li","Pt","F"],"chemical_system":"F-Li-Pt","density":5.162741105189653,"density_atomic":0.07870692824379591,"volume":101.6428944504082,"volume_molar":7.651347720427263,"formula_full":"Li1 Pt1 F6","formula_reduced":"LiPtF6","formula_anonymous":"ABC6","energy":-35.622598069999995,"energy_per_atom":-4.452824758749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.85059807,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.983005,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.941000Z","spacegroup":148}]}