{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=61","results":[{"id":"mp-989591","created_at":"2022-09-04T14:47:00.791931Z","structure_string":"K2 Br1 Cl6 F1\n1.0\n0.000000 5.061950 5.061950\n5.061950 0.000000 5.061950\n5.061950 5.061950 0.000000\nK Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Br\n0.243334 0.756666 0.756666 Cl\n0.243334 0.756666 0.243334 Cl\n0.756666 0.243334 0.756666 Cl\n0.756666 0.756666 0.243334 Cl\n0.243334 0.243334 0.756666 Cl\n0.756666 0.243334 0.243334 Cl\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["K","Br","Cl","F"],"chemical_system":"Br-Cl-F-K","density":2.495320457366353,"density_atomic":0.03854929599633438,"volume":259.4081095787298,"volume_molar":15.62192150168615,"formula_full":"K2 Br1 Cl6 F1","formula_reduced":"K2BrCl6F","formula_anonymous":"ABC2D6","energy":-28.43272424,"energy_per_atom":-2.843272424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.28672424,"band_gap":0.9144,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.86e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.671000Z","spacegroup":225},{"id":"mp-989590","created_at":"2022-09-04T14:42:28.629101Z","structure_string":"Ca6 Sn2 N1 F1\n1.0\n0.000000 4.921872 4.921872\n4.921872 0.000000 4.921872\n4.921872 4.921872 0.000000\nCa Sn N F\n6 2 1 1\ndirect\n0.240716 0.759284 0.759284 Ca\n0.240716 0.759284 0.240716 Ca\n0.759284 0.240716 0.759284 Ca\n0.759284 0.759284 0.240716 Ca\n0.240716 0.240716 0.759284 Ca\n0.759284 0.240716 0.240716 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["Ca","Sn","N","F"],"chemical_system":"Ca-F-N-Sn","density":3.5576088474005854,"density_atomic":0.04193523287215811,"volume":238.46296574733603,"volume_molar":14.360575457775163,"formula_full":"Ca6 Sn2 N1 F1","formula_reduced":"Ca6Sn2NF","formula_anonymous":"ABC2D6","energy":-43.450579440000006,"energy_per_atom":-4.345057944000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.98857944,"band_gap":0.1322999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001134,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.096000Z","spacegroup":225},{"id":"mp-989589","created_at":"2022-09-04T14:43:13.409075Z","structure_string":"La2 Mn2 N6\n1.0\n2.033962 5.448645 0.000000\n-2.033962 5.448645 0.000000\n0.000000 3.477947 6.180858\nLa Mn N\n2 2 6\ndirect\n0.280143 0.280143 0.237764 La\n0.719857 0.719857 0.762236 La\n0.541293 0.541293 0.312920 Mn\n0.458707 0.458707 0.687080 Mn\n0.927498 0.241002 0.121661 N\n0.641684 0.641684 0.465151 N\n0.072502 0.758998 0.878339 N\n0.758998 0.072502 0.878339 N\n0.358316 0.358316 0.534849 N\n0.241002 0.927498 0.121661 N\n","nsites":10,"nelements":3,"elements":["La","Mn","N"],"chemical_system":"La-Mn-N","density":5.717812820639941,"density_atomic":0.07299445838037763,"volume":136.99670114530502,"volume_molar":8.250134179526802,"formula_full":"La2 Mn2 N6","formula_reduced":"LaMnN3","formula_anonymous":"ABC3","energy":-87.29407514,"energy_per_atom":-8.729407514,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.12807514,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0085311,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.831000Z","spacegroup":12},{"id":"mp-989588","created_at":"2022-09-04T14:47:15.107053Z","structure_string":"La2 Os2 N6\n1.0\n4.816761 -2.797724 0.000000\n4.816761 2.797724 0.000000\n3.191756 0.000000 4.565210\nLa Os N\n2 2 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.706072 0.793928 0.250000 N\n0.793928 0.250000 0.706072 N\n0.293928 0.206072 0.750000 N\n0.250000 0.706072 0.793928 N\n0.750000 0.293928 0.206072 N\n0.206072 0.750000 0.293928 N\n","nsites":10,"nelements":3,"elements":["La","Os","N"],"chemical_system":"La-N-Os","density":10.018076731651039,"density_atomic":0.0812735590137205,"volume":123.04124639492915,"volume_molar":7.409717050761059,"formula_full":"La2 Os2 N6","formula_reduced":"LaOsN3","formula_anonymous":"ABC3","energy":-88.11200115999998,"energy_per_atom":-8.811200115999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.94600115999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002511,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.591000Z","spacegroup":167},{"id":"mp-989587","created_at":"2022-09-04T14:48:23.552878Z","structure_string":"K2 S1 Br1 Cl6\n1.0\n0.000000 5.293414 5.293414\n5.293414 0.000000 5.293414\n5.293414 5.293414 0.000000\nK S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 Br\n0.279466 0.720534 0.720534 Cl\n0.279466 0.720534 0.279466 Cl\n0.720534 0.279466 0.720534 Cl\n0.720534 0.720534 0.279466 Cl\n0.279466 0.279466 0.720534 Cl\n0.720534 0.279466 0.279466 Cl\n","nsites":10,"nelements":4,"elements":["K","S","Br","Cl"],"chemical_system":"Br-Cl-K-S","density":2.2552313806069115,"density_atomic":0.03371028462086163,"volume":296.6453743262521,"volume_molar":17.864401999955803,"formula_full":"K2 S1 Br1 Cl6","formula_reduced":"K2SBrCl6","formula_anonymous":"ABC2D6","energy":-30.32665544,"energy_per_atom":-3.032665544,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.64265544,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059412,"is_theoretical":true,"updated_at":"2021-11-28T01:38:56.770000Z","spacegroup":225},{"id":"mp-989586","created_at":"2022-09-04T14:41:12.972942Z","structure_string":"Sr2 Tc2 N6\n1.0\n2.108731 -6.354807 0.000000\n2.108731 6.354807 0.000000\n0.000000 0.000000 5.719636\nSr Tc N\n2 2 6\ndirect\n0.631229 0.368771 0.750000 Sr\n0.368771 0.631229 0.250000 Sr\n0.094749 0.905251 0.250000 Tc\n0.905251 0.094749 0.750000 Tc\n0.153557 0.545340 0.754346 N\n0.044153 0.044153 0.000000 N\n0.545340 0.153557 0.245654 N\n0.454660 0.846443 0.745654 N\n0.955847 0.955847 0.500000 N\n0.846443 0.454660 0.254346 N\n","nsites":10,"nelements":3,"elements":["Sr","Tc","N"],"chemical_system":"N-Sr-Tc","density":4.93180533846463,"density_atomic":0.06523460927889493,"volume":153.292862646688,"volume_molar":9.231511963617013,"formula_full":"Sr2 Tc2 N6","formula_reduced":"SrTcN3","formula_anonymous":"ABC3","energy":-79.63560568,"energy_per_atom":-7.963560568,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.46960568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008895,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.389000Z","spacegroup":20},{"id":"mp-989585","created_at":"2022-09-04T14:44:16.768437Z","structure_string":"Cs2 K1 Pb1 F6\n1.0\n0.000000 4.863519 4.863519\n4.863519 0.000000 4.863519\n4.863519 4.863519 0.000000\nCs K Pb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pb\n0.233498 0.766502 0.766502 F\n0.233498 0.766502 0.233498 F\n0.766502 0.233498 0.766502 F\n0.766502 0.766502 0.233498 F\n0.233498 0.233498 0.766502 F\n0.766502 0.233498 0.233498 F\n","nsites":10,"nelements":4,"elements":["Cs","K","Pb","F"],"chemical_system":"Cs-F-K-Pb","density":4.518670704676017,"density_atomic":0.04346284527478669,"volume":230.08157742036087,"volume_molar":13.855836455082509,"formula_full":"Cs2 K1 Pb1 F6","formula_reduced":"Cs2KPbF6","formula_anonymous":"ABC2D6","energy":-45.88456603,"energy_per_atom":-4.588456603,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.11256603,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9773873,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.935000Z","spacegroup":225},{"id":"mp-989584","created_at":"2022-09-04T14:44:26.351447Z","structure_string":"Ca6 Sn2 N1 O1\n1.0\n0.000000 4.879354 4.879354\n4.879354 0.000000 4.879354\n4.879354 4.879354 0.000000\nCa Sn N O\n6 2 1 1\ndirect\n0.252418 0.747582 0.747582 Ca\n0.252418 0.747582 0.252418 Ca\n0.747582 0.252418 0.747582 Ca\n0.747582 0.747582 0.252418 Ca\n0.252418 0.252418 0.747582 Ca\n0.747582 0.252418 0.252418 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 O\n","nsites":10,"nelements":4,"elements":["Ca","Sn","N","O"],"chemical_system":"Ca-N-O-Sn","density":3.629988815446917,"density_atomic":0.04304106626046936,"volume":232.33625160407334,"volume_molar":13.991616108105056,"formula_full":"Ca6 Sn2 N1 O1","formula_reduced":"Ca6Sn2NO","formula_anonymous":"ABC2D6","energy":-46.40235048,"energy_per_atom":-4.640235048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.71535048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0123771,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.235000Z","spacegroup":225},{"id":"mp-989583","created_at":"2022-09-04T14:42:10.792891Z","structure_string":"Rb2 Li1 In1 Cl6\n1.0\n0.000000 5.158612 5.158612\n5.158612 0.000000 5.158612\n5.158612 5.158612 0.000000\nRb Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.752981 0.247019 0.247019 Cl\n0.247019 0.247019 0.752981 Cl\n0.247019 0.752981 0.752981 Cl\n0.247019 0.752981 0.247019 Cl\n0.752981 0.247019 0.752981 Cl\n0.752981 0.752981 0.247019 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","In","Cl"],"chemical_system":"Cl-In-Li-Rb","density":3.0567968303050956,"density_atomic":0.03642263923214556,"volume":274.5545136436541,"volume_molar":16.534059274554256,"formula_full":"Rb2 Li1 In1 Cl6","formula_reduced":"Rb2LiInCl6","formula_anonymous":"ABC2D6","energy":-37.52420959,"energy_per_atom":-3.7524209589999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.84020959,"band_gap":2.4534,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001681,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.170000Z","spacegroup":225},{"id":"mp-989582","created_at":"2022-09-04T14:47:44.610523Z","structure_string":"Ca6 Pb2 Se1 N1\n1.0\n0.000000 5.203692 5.203692\n5.203692 0.000000 5.203692\n5.203692 5.203692 0.000000\nCa Pb Se N\n6 2 1 1\ndirect\n0.269230 0.730770 0.730770 Ca\n0.269230 0.730770 0.269230 Ca\n0.730770 0.269230 0.730770 Ca\n0.730770 0.730770 0.269230 Ca\n0.269230 0.269230 0.730770 Ca\n0.730770 0.269230 0.269230 Ca\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 N\n","nsites":10,"nelements":4,"elements":["Ca","Pb","Se","N"],"chemical_system":"Ca-N-Pb-Se","density":4.4064613451546775,"density_atomic":0.035484219284276065,"volume":281.81541546360717,"volume_molar":16.97132100259723,"formula_full":"Ca6 Pb2 Se1 N1","formula_reduced":"Ca6Pb2SeN","formula_anonymous":"ABC2D6","energy":-40.8709539,"energy_per_atom":-4.08709539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.5099539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0278664,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.072000Z","spacegroup":225},{"id":"mp-989581","created_at":"2022-09-04T14:47:46.932557Z","structure_string":"La2 Re2 N6\n1.0\n4.840014 -2.810116 0.000000\n4.840014 2.810116 0.000000\n3.208458 0.000000 4.585661\nLa Re N\n2 2 6\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.250000 0.788552 0.711448 N\n0.711448 0.250000 0.788552 N\n0.211448 0.288552 0.750000 N\n0.288552 0.750000 0.211448 N\n0.750000 0.211448 0.288552 N\n0.788552 0.711448 0.250000 N\n","nsites":10,"nelements":3,"elements":["La","Re","N"],"chemical_system":"La-N-Re","density":9.774604645299195,"density_atomic":0.08016728816471361,"volume":124.73915769052539,"volume_molar":7.511967658961804,"formula_full":"La2 Re2 N6","formula_reduced":"LaReN3","formula_anonymous":"ABC3","energy":-94.37096227,"energy_per_atom":-9.437096227000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.20496227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001269,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.995000Z","spacegroup":167},{"id":"mp-989580","created_at":"2022-09-04T14:41:54.453344Z","structure_string":"Cs2 K1 N1 F6\n1.0\n0.000000 4.486552 4.486552\n4.486552 0.000000 4.486552\n4.486552 4.486552 0.000000\nCs K N F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 N\n0.206561 0.793439 0.793439 F\n0.206561 0.793439 0.206561 F\n0.793439 0.206561 0.793439 F\n0.793439 0.793439 0.206561 F\n0.206561 0.206561 0.793439 F\n0.793439 0.206561 0.206561 F\n","nsites":10,"nelements":4,"elements":["Cs","K","N","F"],"chemical_system":"Cs-F-K-N","density":3.9799252370047657,"density_atomic":0.05536456440208144,"volume":180.62094605090124,"volume_molar":10.877247613228935,"formula_full":"Cs2 K1 N1 F6","formula_reduced":"Cs2KNF6","formula_anonymous":"ABC2D6","energy":-41.07695208,"energy_per_atom":-4.107695208,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.30495208,"band_gap":2.9855,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004469,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.241000Z","spacegroup":225}]}