{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10173","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10171","results":[{"id":"mp-5606","created_at":"2022-09-04T14:46:25.399792Z","structure_string":"Al1 Tl1 F4\n1.0\n3.697743 0.000000 0.000000\n0.000000 3.697743 0.000000\n0.000000 0.000000 6.478351\nAl Tl F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.722829 F\n0.000000 0.000000 0.277171 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Al","Tl","F"],"chemical_system":"Al-F-Tl","density":5.761775532994147,"density_atomic":0.06773503017305822,"volume":88.58045806830563,"volume_molar":8.890733117876904,"formula_full":"Al1 Tl1 F4","formula_reduced":"AlTlF4","formula_anonymous":"ABC4","energy":-33.44412261,"energy_per_atom":-5.574020435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.59612261,"band_gap":4.2492,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.325000Z","spacegroup":123},{"id":"mp-864903","created_at":"2022-09-04T14:40:22.825542Z","structure_string":"Mg1 Ta1 Ru2\n1.0\n0.000000 3.134726 3.134726\n3.134726 0.000000 3.134726\n3.134726 3.134726 0.000000\nMg Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Mg","Ta","Ru"],"chemical_system":"Mg-Ru-Ta","density":10.98079486049745,"density_atomic":0.06492788222460108,"volume":61.60681456023843,"volume_molar":9.275122726424334,"formula_full":"Mg1 Ta1 Ru2","formula_reduced":"MgTaRu2","formula_anonymous":"ABC2","energy":-33.44188827,"energy_per_atom":-8.3604720675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.44188827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008393,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.775000Z","spacegroup":225},{"id":"mp-542251","created_at":"2022-09-04T14:42:48.521837Z","structure_string":"La3 Cd3 Au3\n1.0\n3.985017 -6.902252 0.000000\n3.985017 6.902252 0.000000\n0.000000 0.000000 4.219486\nLa Cd Au\n3 3 3\ndirect\n0.408917 0.000000 0.000000 La\n0.591083 0.591083 0.000000 La\n0.000000 0.408917 0.000000 La\n0.750432 0.000000 0.500000 Cd\n0.249568 0.249568 0.500000 Cd\n0.000000 0.750432 0.500000 Cd\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n","nsites":9,"nelements":3,"elements":["La","Cd","Au"],"chemical_system":"Au-Cd-La","density":9.620820768453365,"density_atomic":0.038773229326469996,"volume":232.11891700379502,"volume_molar":15.531697680617901,"formula_full":"La3 Cd3 Au3","formula_reduced":"LaCdAu","formula_anonymous":"ABC","energy":-33.43868136,"energy_per_atom":-3.7154090399999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.43868136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038895,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.289000Z","spacegroup":189},{"id":"mp-4562","created_at":"2022-09-04T14:42:45.964446Z","structure_string":"La1 Ge2 Rh2\n1.0\n-2.110683 2.110683 5.343136\n2.110683 -2.110683 5.343136\n2.110683 2.110683 -5.343136\nLa Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.626713 0.626713 0.000000 Ge\n0.373287 0.373287 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n","nsites":5,"nelements":3,"elements":["La","Ge","Rh"],"chemical_system":"Ge-La-Rh","density":8.545545767582656,"density_atomic":0.052513112493636264,"volume":95.21431434112611,"volume_molar":11.46788006658296,"formula_full":"La1 Ge2 Rh2","formula_reduced":"La(GeRh)2","formula_anonymous":"AB2C2","energy":-33.43845392,"energy_per_atom":-6.687690784,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.43845392,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000429,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.251000Z","spacegroup":139},{"id":"mp-9960","created_at":"2022-09-04T14:42:01.025418Z","structure_string":"Y3 Tl1 C1\n1.0\n4.931816 0.000000 0.000000\n0.000000 4.931816 0.000000\n0.000000 0.000000 4.931816\nY Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Y","Tl","C"],"chemical_system":"C-Tl-Y","density":6.687686744601332,"density_atomic":0.04168208248042641,"volume":119.95561887647918,"volume_molar":14.447792436541413,"formula_full":"Y3 Tl1 C1","formula_reduced":"Y3TlC","formula_anonymous":"ABC3","energy":-33.43732698,"energy_per_atom":-6.687465396,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.43732698,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001161,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.339000Z","spacegroup":221},{"id":"mp-1078724","created_at":"2022-09-04T14:48:15.351358Z","structure_string":"Li2 As2 Se4\n1.0\n2.773286 6.256998 0.000000\n-2.773286 6.256998 0.000000\n0.000000 2.193633 5.192219\nLi As Se\n2 2 4\ndirect\n0.738598 0.261282 0.497474 Li\n0.261282 0.738598 0.997474 Li\n0.563094 0.008741 0.163760 As\n0.008741 0.563094 0.663760 As\n0.516426 0.970064 0.762609 Se\n0.970064 0.516426 0.262609 Se\n0.749674 0.229280 0.010866 Se\n0.229280 0.749674 0.510866 Se\n","nsites":8,"nelements":3,"elements":["Li","As","Se"],"chemical_system":"As-Li-Se","density":4.419295937247821,"density_atomic":0.044396252611156276,"volume":180.19538878805483,"volume_molar":13.564524944807399,"formula_full":"Li2 As2 Se4","formula_reduced":"LiAsSe2","formula_anonymous":"ABC2","energy":-33.43721801,"energy_per_atom":-4.17965225125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54921801,"band_gap":0.7504,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013257,"is_theoretical":false,"updated_at":"2021-11-28T01:40:06.620000Z","spacegroup":9},{"id":"mp-1245773","created_at":"2022-09-04T14:45:20.116020Z","structure_string":"Ca2 Ru1 N2\n1.0\n3.669964 0.000000 0.000000\n0.000000 3.577801 0.000000\n-1.834982 -1.788900 6.175594\nCa Ru N\n2 1 2\ndirect\n0.148338 0.148338 0.796674 Ca\n0.851662 0.851662 0.203326 Ca\n0.500000 0.500000 0.500000 Ru\n0.649996 0.649996 0.799992 N\n0.350004 0.350004 0.200008 N\n","nsites":5,"nelements":3,"elements":["Ca","Ru","N"],"chemical_system":"Ca-N-Ru","density":4.284852155677969,"density_atomic":0.06166138601573,"volume":81.08802482520399,"volume_molar":9.766469988955059,"formula_full":"Ca2 Ru1 N2","formula_reduced":"Ca2RuN2","formula_anonymous":"AB2C2","energy":-33.435473720000005,"energy_per_atom":-6.687094744000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.71347372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001703,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.061000Z","spacegroup":139},{"id":"mp-1110910","created_at":"2022-09-04T14:48:16.569132Z","structure_string":"K2 Cu1 Bi1 Br6\n1.0\n0.000000 5.518150 5.518150\n5.518150 0.000000 5.518150\n5.518150 5.518150 0.000000\nK Cu Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739298 0.260702 0.260702 Br\n0.260702 0.260702 0.739298 Br\n0.260702 0.739298 0.739298 Br\n0.260702 0.739298 0.260702 Br\n0.739298 0.260702 0.739298 Br\n0.739298 0.739298 0.260702 Br\n","nsites":10,"nelements":4,"elements":["K","Cu","Bi","Br"],"chemical_system":"Bi-Br-Cu-K","density":4.101980574355043,"density_atomic":0.029757024264483813,"volume":336.0551079005368,"volume_molar":20.237711628940207,"formula_full":"K2 Cu1 Bi1 Br6","formula_reduced":"K2CuBiBr6","formula_anonymous":"ABC2D6","energy":-33.43434288,"energy_per_atom":-3.343434288,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.23034288,"band_gap":0.8862000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004347,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.923000Z","spacegroup":225},{"id":"mp-505536","created_at":"2022-09-04T14:41:12.422331Z","structure_string":"Ce2 Te4\n1.0\n4.506471 0.000000 0.000000\n0.000000 4.506471 0.000000\n0.000000 0.000000 9.060938\nCe Te\n2 4\ndirect\n0.500000 0.000000 0.730297 Ce\n0.000000 0.500000 0.269703 Ce\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.629183 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.000000 0.370817 Te\n","nsites":6,"nelements":2,"elements":["Ce","Te"],"chemical_system":"Ce-Te","density":7.134723801485132,"density_atomic":0.03260655604461797,"volume":184.01207388445914,"volume_molar":18.469110174528883,"formula_full":"Ce2 Te4","formula_reduced":"CeTe2","formula_anonymous":"AB2","energy":-33.4331029,"energy_per_atom":-5.572183816666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.7451029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6659765,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.281000Z","spacegroup":129},{"id":"mp-1078903","created_at":"2022-09-04T14:45:11.190669Z","structure_string":"Sr2 Zn2 Sb2 F2\n1.0\n4.354542 0.000000 0.000000\n0.000000 4.354542 0.000000\n0.000000 0.000000 9.476159\nSr Zn Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.860101 Sr\n0.500000 0.000000 0.139899 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.320979 Sb\n0.500000 0.000000 0.679021 Sb\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":8,"nelements":4,"elements":["Sr","Zn","Sb","F"],"chemical_system":"F-Sb-Sr-Zn","density":5.429939078956504,"density_atomic":0.0445217965192882,"volume":179.68726838177244,"volume_molar":13.526275287186639,"formula_full":"Sr2 Zn2 Sb2 F2","formula_reduced":"SrZnSbF","formula_anonymous":"ABCD","energy":-33.43288815,"energy_per_atom":-4.17911101875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.12488815,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.349000Z","spacegroup":129},{"id":"mp-1183133","created_at":"2022-09-04T14:48:07.595227Z","structure_string":"Al1 Ir1 O3\n1.0\n3.664087 0.000000 0.000000\n0.000000 3.664087 0.000000\n0.000000 0.000000 3.664087\nAl Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Al","Ir","O"],"chemical_system":"Al-Ir-O","density":9.019509478935857,"density_atomic":0.10164187626629342,"volume":49.1923229250551,"volume_molar":5.924861859321136,"formula_full":"Al1 Ir1 O3","formula_reduced":"AlIrO3","formula_anonymous":"ABC3","energy":-33.43165328,"energy_per_atom":-6.686330656,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.37065328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0371911,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.746000Z","spacegroup":221},{"id":"mp-1180050","created_at":"2022-09-04T14:42:15.429650Z","structure_string":"O8\n1.0\n4.230595 3.406919 0.000000\n-4.230595 3.406919 0.000000\n0.000000 1.349883 3.127495\nO\n8\ndirect\n0.774957 0.113939 0.647086 O\n0.886061 0.225043 0.852914 O\n0.225043 0.886061 0.352914 O\n0.113939 0.774957 0.147086 O\n0.717711 0.753319 0.827685 O\n0.246681 0.282289 0.672315 O\n0.282289 0.246681 0.172315 O\n0.753319 0.717711 0.327685 O\n","nsites":8,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.3575065117612257,"density_atomic":0.08873605298541794,"volume":90.15501288202042,"volume_molar":6.786577222439253,"formula_full":"O8","formula_reduced":"O","formula_anonymous":"A","energy":-33.4314924,"energy_per_atom":-4.17893655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.4314924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.64e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.829000Z","spacegroup":15}]}