{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10224","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10222","results":[{"id":"mp-1112484","created_at":"2022-09-04T14:44:09.166858Z","structure_string":"Cs2 Sc1 Tl1 I6\n1.0\n0.000000 6.285605 6.285605\n6.285605 0.000000 6.285605\n6.285605 6.285605 0.000000\nCs Sc Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.769387 0.230613 0.230613 I\n0.230613 0.230613 0.769387 I\n0.230613 0.769387 0.769387 I\n0.230613 0.769387 0.230613 I\n0.769387 0.230613 0.769387 I\n0.769387 0.769387 0.230613 I\n","nsites":10,"nelements":4,"elements":["Cs","Sc","Tl","I"],"chemical_system":"Cs-I-Sc-Tl","density":4.268004205203559,"density_atomic":0.020133938955103285,"volume":496.6738014999957,"volume_molar":29.910395444372735,"formula_full":"Cs2 Sc1 Tl1 I6","formula_reduced":"Cs2ScTlI6","formula_anonymous":"ABC2D6","energy":-34.475328940000004,"energy_per_atom":-3.4475328940000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.20132894,"band_gap":2.4146,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005028,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.307000Z","spacegroup":225},{"id":"mp-1112483","created_at":"2022-09-04T14:42:15.486343Z","structure_string":"Cs2 Ta1 Tl1 F6\n1.0\n0.000000 4.855353 4.855353\n4.855353 0.000000 4.855353\n4.855353 4.855353 0.000000\nCs Ta Tl F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tl\n0.786937 0.213063 0.213063 F\n0.213063 0.213063 0.786937 F\n0.213063 0.786937 0.786937 F\n0.213063 0.786937 0.213063 F\n0.786937 0.213063 0.786937 F\n0.786937 0.786937 0.213063 F\n","nsites":10,"nelements":4,"elements":["Cs","Ta","Tl","F"],"chemical_system":"Cs-F-Ta-Tl","density":5.550004343816893,"density_atomic":0.04368250892176123,"volume":228.92457981089817,"volume_molar":13.78616043045083,"formula_full":"Cs2 Ta1 Tl1 F6","formula_reduced":"Cs2TaTlF6","formula_anonymous":"ABC2D6","energy":-54.87304745,"energy_per_atom":-5.487304745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.10104745000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000042,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.580000Z","spacegroup":225},{"id":"mp-1112482","created_at":"2022-09-04T14:41:07.079971Z","structure_string":"Cs2 Y1 Tl1 F6\n1.0\n0.000000 4.908757 4.908757\n4.908757 0.000000 4.908757\n4.908757 4.908757 0.000000\nCs Y Tl F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.776502 0.223498 0.223498 F\n0.223498 0.223498 0.776502 F\n0.223498 0.776502 0.776502 F\n0.223498 0.776502 0.223498 F\n0.776502 0.223498 0.776502 F\n0.776502 0.776502 0.223498 F\n","nsites":10,"nelements":4,"elements":["Cs","Y","Tl","F"],"chemical_system":"Cs-F-Tl-Y","density":4.724740327098227,"density_atomic":0.042272253813443496,"volume":236.5617893035025,"volume_molar":14.246083936231544,"formula_full":"Cs2 Y1 Tl1 F6","formula_reduced":"Cs2YTlF6","formula_anonymous":"ABC2D6","energy":-55.74858633,"energy_per_atom":-5.574858633,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.97658633,"band_gap":4.7681,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.737000Z","spacegroup":225},{"id":"mp-1112481","created_at":"2022-09-04T14:39:19.384550Z","structure_string":"K2 La1 Ag1 Cl6\n1.0\n0.000000 5.492533 5.492533\n5.492533 0.000000 5.492533\n5.492533 5.492533 0.000000\nK La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.748732 0.251268 0.251268 Cl\n0.251268 0.251268 0.748732 Cl\n0.251268 0.748732 0.748732 Cl\n0.251268 0.748732 0.251268 Cl\n0.748732 0.251268 0.748732 Cl\n0.748732 0.748732 0.251268 Cl\n","nsites":10,"nelements":4,"elements":["K","La","Ag","Cl"],"chemical_system":"Ag-Cl-K-La","density":2.694211212771799,"density_atomic":0.030175326618319315,"volume":331.39657861827556,"volume_molar":19.957168438216616,"formula_full":"K2 La1 Ag1 Cl6","formula_reduced":"K2LaAgCl6","formula_anonymous":"ABC2D6","energy":-42.56221394,"energy_per_atom":-4.256221394,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.87821394,"band_gap":3.4632,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007314,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.944000Z","spacegroup":225},{"id":"mp-1112480","created_at":"2022-09-04T14:41:32.452680Z","structure_string":"K2 Ag1 As1 Cl6\n1.0\n0.000000 5.199079 5.199079\n5.199079 0.000000 5.199079\n5.199079 5.199079 0.000000\nK Ag As Cl\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 Ag\n0.000000 0.000000 0.000000 As\n0.758539 0.241461 0.241461 Cl\n0.241461 0.241461 0.758539 Cl\n0.241461 0.758539 0.758539 Cl\n0.241461 0.758539 0.241461 Cl\n0.758539 0.241461 0.758539 Cl\n0.758539 0.758539 0.241461 Cl\n","nsites":10,"nelements":4,"elements":["K","Ag","As","Cl"],"chemical_system":"Ag-As-Cl-K","density":2.7986415057463425,"density_atomic":0.035578755633697175,"volume":281.0666034235568,"volume_molar":16.926226487517567,"formula_full":"K2 Ag1 As1 Cl6","formula_reduced":"K2AgAsCl6","formula_anonymous":"ABC2D6","energy":-35.877180669999994,"energy_per_atom":-3.5877180669999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.19318067,"band_gap":1.519,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017635,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.612000Z","spacegroup":225},{"id":"mp-1112479","created_at":"2022-09-04T14:46:19.394444Z","structure_string":"K2 Ag1 Au1 Cl6\n1.0\n0.000000 5.136711 5.136711\n5.136711 0.000000 5.136711\n5.136711 5.136711 0.000000\nK Ag Au Cl\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 Ag\n0.000000 0.000000 0.000000 Au\n0.752345 0.247655 0.247655 Cl\n0.247655 0.247655 0.752345 Cl\n0.247655 0.752345 0.752345 Cl\n0.247655 0.752345 0.247655 Cl\n0.752345 0.247655 0.752345 Cl\n0.752345 0.752345 0.247655 Cl\n","nsites":10,"nelements":4,"elements":["K","Ag","Au","Cl"],"chemical_system":"Ag-Au-Cl-K","density":3.6494489757839936,"density_atomic":0.036890505604889684,"volume":271.07245715479,"volume_molar":16.324364931452145,"formula_full":"K2 Ag1 Au1 Cl6","formula_reduced":"K2AgAuCl6","formula_anonymous":"ABC2D6","energy":-32.90473191,"energy_per_atom":-3.2904731910000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.22073191,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003181,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.712000Z","spacegroup":225},{"id":"mp-1112473","created_at":"2022-09-04T14:46:01.761383Z","structure_string":"K2 Er1 Ag1 Cl6\n1.0\n0.000000 5.338935 5.338935\n5.338935 0.000000 5.338935\n5.338935 5.338935 0.000000\nK Er Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.755856 0.244144 0.244144 Cl\n0.244144 0.244144 0.755856 Cl\n0.244144 0.755856 0.755856 Cl\n0.244144 0.755856 0.244144 Cl\n0.755856 0.244144 0.755856 Cl\n0.755856 0.755856 0.244144 Cl\n","nsites":10,"nelements":4,"elements":["K","Er","Ag","Cl"],"chemical_system":"Ag-Cl-Er-K","density":3.0881878125398026,"density_atomic":0.032855350447366406,"volume":304.3644296541531,"volume_molar":18.329254377144284,"formula_full":"K2 Er1 Ag1 Cl6","formula_reduced":"K2ErAgCl6","formula_anonymous":"ABC2D6","energy":-42.17690124,"energy_per_atom":-4.217690124,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.49290124,"band_gap":3.6443,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009847,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.123000Z","spacegroup":225},{"id":"mp-1112472","created_at":"2022-09-04T14:40:39.407698Z","structure_string":"K2 Eu1 Ag1 Cl6\n1.0\n0.000000 5.385172 5.385172\n5.385172 0.000000 5.385172\n5.385172 5.385172 0.000000\nK Eu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ag\n0.747443 0.252557 0.252557 Cl\n0.252557 0.252557 0.747443 Cl\n0.252557 0.747443 0.747443 Cl\n0.252557 0.747443 0.252557 Cl\n0.747443 0.252557 0.747443 Cl\n0.747443 0.747443 0.252557 Cl\n","nsites":10,"nelements":4,"elements":["K","Eu","Ag","Cl"],"chemical_system":"Ag-Cl-Eu-K","density":2.928008594553043,"density_atomic":0.03201630932577682,"volume":312.3408103740692,"volume_molar":18.80960325165113,"formula_full":"K2 Eu1 Ag1 Cl6","formula_reduced":"K2EuAgCl6","formula_anonymous":"ABC2D6","energy":-46.35100792,"energy_per_atom":-4.635100792,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.66700792,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000124,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.762000Z","spacegroup":225},{"id":"mp-1112470","created_at":"2022-09-04T14:47:57.946579Z","structure_string":"K2 Ga1 Ag1 Br6\n1.0\n0.000000 5.410677 5.410677\n5.410677 0.000000 5.410677\n5.410677 5.410677 0.000000\nK Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.760820 0.239180 0.239180 Br\n0.239180 0.239180 0.760820 Br\n0.239180 0.760820 0.760820 Br\n0.239180 0.760820 0.239180 Br\n0.760820 0.239180 0.760820 Br\n0.760820 0.760820 0.239180 Br\n","nsites":10,"nelements":4,"elements":["K","Ga","Ag","Br"],"chemical_system":"Ag-Br-Ga-K","density":3.8536897192378468,"density_atomic":0.031565682083224446,"volume":316.79974390017986,"volume_molar":19.078126504988347,"formula_full":"K2 Ga1 Ag1 Br6","formula_reduced":"K2GaAgBr6","formula_anonymous":"ABC2D6","energy":-31.572084360000005,"energy_per_atom":-3.1572084360000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.36808436,"band_gap":0.0236,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020549,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.917000Z","spacegroup":225},{"id":"mp-1112469","created_at":"2022-09-04T14:42:44.981468Z","structure_string":"K2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.112531 5.112531\n5.112531 0.000000 5.112531\n5.112531 5.112531 0.000000\nK Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.764783 0.235217 0.235217 Cl\n0.235217 0.235217 0.764783 Cl\n0.235217 0.764783 0.764783 Cl\n0.235217 0.764783 0.235217 Cl\n0.764783 0.235217 0.764783 Cl\n0.764783 0.764783 0.235217 Cl\n","nsites":10,"nelements":4,"elements":["K","Ga","Ag","Cl"],"chemical_system":"Ag-Cl-Ga-K","density":2.9108927899070722,"density_atomic":0.037416412185606714,"volume":267.2623967897912,"volume_molar":16.094917733230943,"formula_full":"K2 Ga1 Ag1 Cl6","formula_reduced":"K2GaAgCl6","formula_anonymous":"ABC2D6","energy":-35.78767464,"energy_per_atom":-3.578767464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.10367464,"band_gap":1.1817,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010648,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.881000Z","spacegroup":225},{"id":"mp-1112466","created_at":"2022-09-04T14:40:06.613572Z","structure_string":"K2 Ga1 Ag1 I6\n1.0\n0.000000 5.836330 5.836330\n5.836330 0.000000 5.836330\n5.836330 5.836330 0.000000\nK Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.755375 0.244625 0.244625 I\n0.244625 0.244625 0.755375 I\n0.244625 0.755375 0.755375 I\n0.244625 0.755375 0.244625 I\n0.755375 0.244625 0.755375 I\n0.755375 0.755375 0.244625 I\n","nsites":10,"nelements":4,"elements":["K","Ga","Ag","I"],"chemical_system":"Ag-Ga-I-K","density":4.24827063331333,"density_atomic":0.025150723599733943,"volume":397.60287453939435,"volume_molar":23.94420477056853,"formula_full":"K2 Ga1 Ag1 I6","formula_reduced":"K2GaAgI6","formula_anonymous":"ABC2D6","energy":-26.7844084,"energy_per_atom":-2.67844084,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.510408400000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004368,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.399000Z","spacegroup":225},{"id":"mp-1112464","created_at":"2022-09-04T14:42:55.948224Z","structure_string":"K2 In1 Ag1 Br6\n1.0\n0.000000 5.544669 5.544669\n5.544669 0.000000 5.544669\n5.544669 5.544669 0.000000\nK In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.754783 0.245217 0.245217 Br\n0.245217 0.245217 0.754783 Br\n0.245217 0.754783 0.754783 Br\n0.245217 0.754783 0.245217 Br\n0.754783 0.245217 0.754783 Br\n0.754783 0.754783 0.245217 Br\n","nsites":10,"nelements":4,"elements":["K","In","Ag","Br"],"chemical_system":"Ag-Br-In-K","density":3.8006477277599005,"density_atomic":0.029332098097381566,"volume":340.9234473033719,"volume_molar":20.530889880453483,"formula_full":"K2 In1 Ag1 Br6","formula_reduced":"K2InAgBr6","formula_anonymous":"ABC2D6","energy":-31.65259975,"energy_per_atom":-3.165259975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.44859975,"band_gap":0.2343,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000743,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.678000Z","spacegroup":225}]}