{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10186","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10184","results":[{"id":"mp-14000","created_at":"2022-09-04T14:45:41.360436Z","structure_string":"U1 Cd1 O4\n1.0\n6.137459 -1.930117 0.000000\n6.137459 1.930117 0.000000\n5.530473 0.000000 3.287496\nU Cd O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Cd\n0.639129 0.639129 0.639129 O\n0.360871 0.360871 0.360871 O\n0.111717 0.111717 0.111717 O\n0.888283 0.888283 0.888283 O\n","nsites":6,"nelements":3,"elements":["U","Cd","O"],"chemical_system":"Cd-O-U","density":8.835694361332104,"density_atomic":0.0770342363672657,"volume":77.8874469709106,"volume_molar":7.817486151597655,"formula_full":"U1 Cd1 O4","formula_reduced":"UCdO4","formula_anonymous":"ABC4","energy":-49.209935400000006,"energy_per_atom":-8.2016559,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.4619354,"band_gap":1.9057,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.251000Z","spacegroup":166},{"id":"mp-21050","created_at":"2022-09-04T14:46:04.155975Z","structure_string":"U2 Fe4\n1.0\n0.000000 3.486744 3.486744\n3.486744 0.000000 3.486744\n3.486744 3.486744 0.000000\nU Fe\n2 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.125000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n","nsites":6,"nelements":2,"elements":["U","Fe"],"chemical_system":"Fe-U","density":13.699604416805926,"density_atomic":0.07077193467991212,"volume":84.77936949352662,"volume_molar":8.509221610567787,"formula_full":"U2 Fe4","formula_reduced":"UFe2","formula_anonymous":"AB2","energy":-57.07354921,"energy_per_atom":-9.512258201666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.07354921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2178127,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.727000Z","spacegroup":227},{"id":"mp-1220374","created_at":"2022-09-04T14:45:55.261694Z","structure_string":"Nb2 V2 Cr2\n1.0\n-2.475605 2.523433 3.524467\n2.475605 -2.523433 3.524467\n2.475605 2.523433 -3.524467\nNb V Cr\n2 2 2\ndirect\n0.126180 0.876180 0.250000 Nb\n0.873820 0.123820 0.750000 Nb\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n","nsites":6,"nelements":3,"elements":["Nb","V","Cr"],"chemical_system":"Cr-Nb-V","density":7.385208319635164,"density_atomic":0.06812784961498775,"volume":88.0697106089201,"volume_molar":8.839469899656372,"formula_full":"Nb2 V2 Cr2","formula_reduced":"NbVCr","formula_anonymous":"ABC","energy":-58.21141508,"energy_per_atom":-9.701902513333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.21141508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002437,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.548000Z","spacegroup":74},{"id":"mp-1039659","created_at":"2022-09-04T14:45:59.085650Z","structure_string":"Ce2 Mg4\n1.0\n1.589629 6.396817 0.000000\n-1.589629 6.396817 0.000000\n0.000000 2.475360 7.469002\nCe Mg\n2 4\ndirect\n0.597148 0.597148 0.306503 Ce\n0.958429 0.958429 0.581193 Ce\n0.995915 0.995915 0.997264 Mg\n0.329856 0.329856 0.323798 Mg\n0.673985 0.673985 0.678105 Mg\n0.278001 0.278001 0.946469 Mg\n","nsites":6,"nelements":2,"elements":["Ce","Mg"],"chemical_system":"Ce-Mg","density":4.126278654386184,"density_atomic":0.0395001709572888,"volume":151.89807675738288,"volume_molar":15.24585999010407,"formula_full":"Ce2 Mg4","formula_reduced":"CeMg2","formula_anonymous":"AB2","energy":-18.1173941,"energy_per_atom":-3.019565683333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.1173941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.009704,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.665000Z","spacegroup":8},{"id":"mp-1220867","created_at":"2022-09-04T14:45:58.504662Z","structure_string":"Na2 Tl2 O2\n1.0\n1.777579 -3.078857 0.000000\n1.777579 3.078857 0.000000\n0.000000 0.000000 11.562712\nNa Tl O\n2 2 2\ndirect\n0.333333 0.666667 0.394357 Na\n0.666667 0.333333 0.894357 Na\n0.666667 0.333333 0.615174 Tl\n0.333333 0.666667 0.115174 Tl\n0.000000 0.000000 0.490469 O\n0.000000 0.000000 0.990469 O\n","nsites":6,"nelements":3,"elements":["Na","Tl","O"],"chemical_system":"Na-O-Tl","density":6.386198424429807,"density_atomic":0.04740707027414476,"volume":126.56340004356538,"volume_molar":12.703043502109013,"formula_full":"Na2 Tl2 O2","formula_reduced":"NaTlO","formula_anonymous":"ABC","energy":-24.33898899,"energy_per_atom":-4.056498165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.96498899,"band_gap":0.9754999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0053389,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.136000Z","spacegroup":186},{"id":"mp-1209782","created_at":"2022-09-04T14:45:41.711240Z","structure_string":"Pr2 Sb3 Pd1\n1.0\n9.831525 0.000000 0.000000\n0.000000 9.831525 0.000000\n0.000000 0.000000 34.132600\nPr Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.263854 Pr\n0.500000 0.500000 0.736146 Pr\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.656434 Sb\n0.500000 0.500000 0.343566 Sb\n0.500000 0.500000 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Pr","Sb","Pd"],"chemical_system":"Pd-Pr-Sb","density":0.3792538737437613,"density_atomic":0.00181861221311589,"volume":3299.219018066527,"volume_molar":331.13935541442686,"formula_full":"Pr2 Sb3 Pd1","formula_reduced":"Pr2Sb3Pd","formula_anonymous":"AB2C3","energy":-13.20986522,"energy_per_atom":-2.201644203333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.63386522,"band_gap":0.0933999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.309711,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.927000Z","spacegroup":123},{"id":"mp-1077367","created_at":"2022-09-04T14:46:02.404097Z","structure_string":"Ce4 Bi2\n1.0\n-2.275646 2.275646 8.974516\n2.275646 -2.275646 8.974516\n2.275646 2.275646 -8.974516\nCe Bi\n4 2\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.674276 0.674276 0.000000 Ce\n0.325724 0.325724 0.000000 Ce\n0.861484 0.861484 0.000000 Bi\n0.138516 0.138516 0.000000 Bi\n","nsites":6,"nelements":2,"elements":["Ce","Bi"],"chemical_system":"Bi-Ce","density":8.73969172568164,"density_atomic":0.0322753391712376,"volume":185.90044765035168,"volume_molar":18.658644384957153,"formula_full":"Ce4 Bi2","formula_reduced":"Ce2Bi","formula_anonymous":"AB2","energy":-34.79260246,"energy_per_atom":-5.798767076666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.79260246,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.269443,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.023000Z","spacegroup":139},{"id":"mp-936219","created_at":"2022-09-04T14:46:18.049309Z","structure_string":"K4 O2\n1.0\n-2.621549 2.621549 6.654194\n2.621549 -2.621549 6.654194\n2.621549 2.621549 -6.654194\nK O\n4 2\ndirect\n0.299896 0.299896 0.000000 K\n0.700104 0.700104 0.000000 K\n0.450104 0.950104 0.500000 K\n0.049896 0.549896 0.500000 K\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":1.710173392313894,"density_atomic":0.032800452979150026,"volume":182.92430302148472,"volume_molar":18.359931687004572,"formula_full":"K4 O2","formula_reduced":"K2O","formula_anonymous":"AB2","energy":-21.58793198,"energy_per_atom":-3.5979886633333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.21393198,"band_gap":0.1553999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.808000Z","spacegroup":141},{"id":"mp-1094035","created_at":"2022-09-04T14:45:58.075179Z","structure_string":"U2 Ga2 Cu2\n1.0\n2.320887 -4.019895 0.000000\n2.320887 4.019895 0.000000\n0.000000 0.000000 5.673221\nU Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.004361 U\n0.000000 0.000000 0.504361 U\n0.666667 0.333333 0.259663 Ga\n0.333333 0.666667 0.759663 Ga\n0.666667 0.333333 0.744976 Cu\n0.333333 0.666667 0.244976 Cu\n","nsites":6,"nelements":3,"elements":["U","Ga","Cu"],"chemical_system":"Cu-Ga-U","density":11.64858558624155,"density_atomic":0.05667908721556974,"volume":105.859150080875,"volume_molar":10.62497837534991,"formula_full":"U2 Ga2 Cu2","formula_reduced":"UGaCu","formula_anonymous":"ABC","energy":-37.51863655,"energy_per_atom":-6.253106091666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.51863655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4353346,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.977000Z","spacegroup":186},{"id":"mp-31379","created_at":"2022-09-04T14:45:58.097220Z","structure_string":"Zr4 Sb2\n1.0\n-2.070769 2.070769 7.988514\n2.070769 -2.070769 7.988514\n2.070769 2.070769 -7.988514\nZr Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.677503 0.677503 0.000000 Zr\n0.322497 0.322497 0.000000 Zr\n0.861606 0.861606 0.000000 Sb\n0.138394 0.138394 0.000000 Sb\n","nsites":6,"nelements":2,"elements":["Zr","Sb"],"chemical_system":"Sb-Zr","density":7.373274835297653,"density_atomic":0.0437886895831204,"volume":137.02168430070745,"volume_molar":13.75273116718571,"formula_full":"Zr4 Sb2","formula_reduced":"Zr2Sb","formula_anonymous":"AB2","energy":-46.70742079,"energy_per_atom":-7.7845701316666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.32342079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075326,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.273000Z","spacegroup":139},{"id":"mp-1871","created_at":"2022-09-04T14:46:01.482906Z","structure_string":"Fe4 C2\n1.0\n2.823504 0.000000 0.000000\n0.000000 4.281594 0.000000\n0.000000 0.000000 4.713543\nFe C\n4 2\ndirect\n0.500000 0.249525 0.156430 Fe\n0.500000 0.750475 0.843570 Fe\n0.000000 0.250475 0.656430 Fe\n0.000000 0.749525 0.343570 Fe\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":6,"nelements":2,"elements":["Fe","C"],"chemical_system":"C-Fe","density":7.209578692670371,"density_atomic":0.10529551826924612,"volume":56.98248224257454,"volume_molar":5.719275481983073,"formula_full":"Fe4 C2","formula_reduced":"Fe2C","formula_anonymous":"AB2","energy":-51.98110417,"energy_per_atom":-8.663517361666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.98110417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.5098745,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.004000Z","spacegroup":58},{"id":"mp-15624","created_at":"2022-09-04T14:45:58.441678Z","structure_string":"Sr4 Sb2\n1.0\n-2.533601 2.533601 8.925853\n2.533601 -2.533601 8.925853\n2.533601 2.533601 -8.925853\nSr Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.322034 0.322034 0.000000 Sr\n0.677966 0.677966 0.000000 Sr\n0.134948 0.134948 0.000000 Sb\n0.865052 0.865052 0.000000 Sb\n","nsites":6,"nelements":2,"elements":["Sr","Sb"],"chemical_system":"Sb-Sr","density":4.303773205609331,"density_atomic":0.02617972530530555,"volume":229.18498685637653,"volume_molar":23.003070848797492,"formula_full":"Sr4 Sb2","formula_reduced":"Sr2Sb","formula_anonymous":"AB2","energy":-20.5392513,"energy_per_atom":-3.42320855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.1552513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037861,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.960000Z","spacegroup":139}]}