{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10180","results":[{"id":"mp-1113822","created_at":"2022-09-04T14:45:27.731425Z","structure_string":"Rb3 Sc1 F6\n1.0\n0.000000 4.703181 4.703181\n4.703181 0.000000 4.703181\n4.703181 4.703181 0.000000\nRb Sc F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.783537 0.216463 0.216463 F\n0.216463 0.216463 0.783537 F\n0.216463 0.783537 0.783537 F\n0.216463 0.783537 0.216463 F\n0.783537 0.216463 0.783537 F\n0.783537 0.783537 0.216463 F\n","nsites":10,"nelements":3,"elements":["Rb","Sc","F"],"chemical_system":"F-Rb-Sc","density":3.3148047874026854,"density_atomic":0.04806123497633159,"volume":208.06789515343573,"volume_molar":12.530141522509119,"formula_full":"Rb3 Sc1 F6","formula_reduced":"Rb3ScF6","formula_anonymous":"AB3C6","energy":-56.00902527,"energy_per_atom":-5.600902527000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.23702527,"band_gap":6.0743,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.441000Z","spacegroup":225},{"id":"mp-1113821","created_at":"2022-09-04T14:40:32.852852Z","structure_string":"Rb3 V1 F6\n1.0\n0.000000 4.621856 4.621856\n4.621856 0.000000 4.621856\n4.621856 4.621856 0.000000\nRb V F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 V\n0.785253 0.214747 0.214747 F\n0.214747 0.785253 0.785253 F\n0.214747 0.785253 0.214747 F\n0.785253 0.214747 0.785253 F\n0.214747 0.214747 0.785253 F\n0.785253 0.785253 0.214747 F\n","nsites":10,"nelements":3,"elements":["Rb","V","F"],"chemical_system":"F-Rb-V","density":3.5432168856248456,"density_atomic":0.05064315727513667,"volume":197.46004273926883,"volume_molar":11.891321718514929,"formula_full":"Rb3 V1 F6","formula_reduced":"Rb3VF6","formula_anonymous":"AB3C6","energy":-53.91969499,"energy_per_atom":-5.391969499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.44769499,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9997666,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.728000Z","spacegroup":225},{"id":"mp-1113820","created_at":"2022-09-04T14:42:42.445501Z","structure_string":"Rb3 Ti1 F6\n1.0\n0.000000 4.658364 4.658364\n4.658364 0.000000 4.658364\n4.658364 4.658364 0.000000\nRb Ti F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ti\n0.786083 0.213917 0.213917 F\n0.213917 0.213917 0.786083 F\n0.213917 0.786083 0.786083 F\n0.213917 0.786083 0.213917 F\n0.786083 0.213917 0.786083 F\n0.786083 0.786083 0.213917 F\n","nsites":10,"nelements":3,"elements":["Rb","Ti","F"],"chemical_system":"F-Rb-Ti","density":3.435310706508746,"density_atomic":0.04946178003392583,"volume":202.17630649647063,"volume_molar":12.175341760586486,"formula_full":"Rb3 Ti1 F6","formula_reduced":"Rb3TiF6","formula_anonymous":"AB3C6","energy":-54.94427551,"energy_per_atom":-5.494427550999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.17227551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9996404,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.093000Z","spacegroup":225},{"id":"mp-1113818","created_at":"2022-09-04T14:40:09.009757Z","structure_string":"Rb2 Al1 Cu1 F6\n1.0\n0.000000 4.187194 4.187194\n4.187194 0.000000 4.187194\n4.187194 4.187194 0.000000\nRb Al Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\n0.779060 0.220940 0.220940 F\n0.220940 0.220940 0.779060 F\n0.220940 0.779060 0.779060 F\n0.220940 0.779060 0.220940 F\n0.779060 0.220940 0.779060 F\n0.779060 0.779060 0.220940 F\n","nsites":10,"nelements":4,"elements":["Rb","Al","Cu","F"],"chemical_system":"Al-Cu-F-Rb","density":4.2462550553711695,"density_atomic":0.06810841214285533,"volume":146.82474139942218,"volume_molar":8.841992597579198,"formula_full":"Rb2 Al1 Cu1 F6","formula_reduced":"Rb2AlCuF6","formula_anonymous":"ABC2D6","energy":-51.22194937,"energy_per_atom":-5.122194937,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.44994937,"band_gap":1.2712999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001302,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.441000Z","spacegroup":225},{"id":"mp-1113817","created_at":"2022-09-04T14:41:50.446345Z","structure_string":"Rb2 Cu1 Bi1 F6\n1.0\n6.396958 -0.000000 -0.000000\n3.198479 5.539928 -0.000000\n3.198479 1.846643 5.223094\nRb Cu Bi F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.253399 0.746601 0.253399 F\n0.746601 0.746601 0.253399 F\n0.746601 0.253399 0.746601 F\n0.746601 0.253399 0.253399 F\n0.253399 0.746601 0.746601 F\n0.253399 0.253399 0.746601 F\n","nsites":10,"nelements":4,"elements":["Rb","Cu","Bi","F"],"chemical_system":"Bi-Cu-F-Rb","density":5.000937654578033,"density_atomic":0.054024970492514354,"volume":185.09959207447582,"volume_molar":11.146957980910736,"formula_full":"Rb2 Cu1 Bi1 F6","formula_reduced":"Rb2CuBiF6","formula_anonymous":"ABC2D6","energy":-46.56058755,"energy_per_atom":-4.656058755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.78858755,"band_gap":0.9599000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.216000Z","spacegroup":225},{"id":"mp-1113808","created_at":"2022-09-04T14:44:12.482129Z","structure_string":"Rb2 Mn1 Cu1 F6\n1.0\n5.951939 0.000000 0.000000\n2.975970 5.154531 0.000000\n2.975970 1.718177 4.859738\nRb Mn Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cu\n0.243517 0.756483 0.243517 F\n0.756483 0.756483 0.243517 F\n0.756483 0.243517 0.756483 F\n0.756483 0.243517 0.243517 F\n0.243517 0.756483 0.756483 F\n0.243517 0.243517 0.756483 F\n","nsites":10,"nelements":4,"elements":["Rb","Mn","Cu","F"],"chemical_system":"Cu-F-Mn-Rb","density":4.492988869108731,"density_atomic":0.06707173125661563,"volume":149.09410883908933,"volume_molar":8.978657099157562,"formula_full":"Rb2 Mn1 Cu1 F6","formula_reduced":"Rb2MnCuF6","formula_anonymous":"ABC2D6","energy":-53.34970475,"energy_per_atom":-5.334970475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.90970475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.000158,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.662000Z","spacegroup":225},{"id":"mp-1113807","created_at":"2022-09-04T14:46:52.705234Z","structure_string":"Rb2 In1 Cu1 F6\n1.0\n0.000000 4.378657 4.378657\n4.378657 0.000000 4.378657\n4.378657 4.378657 0.000000\nRb In Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.755875 0.244125 0.244125 F\n0.244125 0.244125 0.755875 F\n0.244125 0.755875 0.755875 F\n0.244125 0.755875 0.244125 F\n0.755875 0.244125 0.755875 F\n0.755875 0.755875 0.244125 F\n","nsites":10,"nelements":4,"elements":["Rb","In","Cu","F"],"chemical_system":"Cu-F-In-Rb","density":4.581938620967626,"density_atomic":0.0595589764405676,"volume":167.90080349985107,"volume_molar":10.11122272393204,"formula_full":"Rb2 In1 Cu1 F6","formula_reduced":"Rb2InCuF6","formula_anonymous":"ABC2D6","energy":-46.1964732,"energy_per_atom":-4.61964732,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.4244732,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002084,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.403000Z","spacegroup":225},{"id":"mp-1113802","created_at":"2022-09-04T14:41:23.279023Z","structure_string":"Rb2 Pr1 Cu1 F6\n1.0\n6.476834 -0.000000 -0.000000\n3.238417 5.609103 -0.000000\n3.238417 1.869701 5.288313\nRb Pr Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.249071 0.750929 0.249071 F\n0.750929 0.750929 0.249071 F\n0.750929 0.249071 0.750929 F\n0.750929 0.249071 0.249071 F\n0.249071 0.750929 0.750929 F\n0.249071 0.249071 0.750929 F\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Cu","F"],"chemical_system":"Cu-F-Pr-Rb","density":4.2298180611030025,"density_atomic":0.052050711063653096,"volume":192.120334105925,"volume_molar":11.56975694844109,"formula_full":"Rb2 Pr1 Cu1 F6","formula_reduced":"Rb2PrCuF6","formula_anonymous":"ABC2D6","energy":-53.0676007,"energy_per_atom":-5.30676007,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.29560070000001,"band_gap":0.6482999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001252,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.437000Z","spacegroup":225},{"id":"mp-1113796","created_at":"2022-09-04T14:46:22.080980Z","structure_string":"Rb2 Sc1 Cu1 F6\n1.0\n6.127498 -0.000000 -0.000000\n3.063749 5.306569 -0.000000\n3.063749 1.768856 5.003081\nRb Sc Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.235863 0.764137 0.235863 F\n0.764137 0.764137 0.235863 F\n0.764137 0.235863 0.764137 F\n0.764137 0.235863 0.235863 F\n0.235863 0.764137 0.764137 F\n0.235863 0.235863 0.764137 F\n","nsites":10,"nelements":4,"elements":["Rb","Sc","Cu","F"],"chemical_system":"Cu-F-Rb-Sc","density":4.015871045760132,"density_atomic":0.06147031972582388,"volume":162.68013643987877,"volume_molar":9.796826804969553,"formula_full":"Rb2 Sc1 Cu1 F6","formula_reduced":"Rb2ScCuF6","formula_anonymous":"ABC2D6","energy":-55.38642613,"energy_per_atom":-5.5386426129999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.61442613,"band_gap":1.479,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.647000Z","spacegroup":225},{"id":"mp-1113795","created_at":"2022-09-04T14:47:05.281783Z","structure_string":"Rb2 Cu1 Ru1 F6\n1.0\n0.000000 4.256436 4.256436\n4.256436 0.000000 4.256436\n4.256436 4.256436 0.000000\nRb Cu Ru F\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 Cu\n0.000000 0.000000 0.000000 Ru\n0.756800 0.243200 0.243200 F\n0.243200 0.243200 0.756800 F\n0.243200 0.756800 0.756800 F\n0.243200 0.756800 0.243200 F\n0.756800 0.243200 0.756800 F\n0.756800 0.756800 0.243200 F\n","nsites":10,"nelements":4,"elements":["Rb","Cu","Ru","F"],"chemical_system":"Cu-F-Rb-Ru","density":4.840063624562922,"density_atomic":0.0648383092117109,"volume":154.22980829663322,"volume_molar":9.28793614950141,"formula_full":"Rb2 Cu1 Ru1 F6","formula_reduced":"Rb2CuRuF6","formula_anonymous":"ABC2D6","energy":-49.09796569999999,"energy_per_atom":-4.909796569999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.3259657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000874,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.853000Z","spacegroup":225},{"id":"mp-1113791","created_at":"2022-09-04T14:45:56.226996Z","structure_string":"Rb2 Tl1 Cu1 F6\n1.0\n0.000000 4.415142 4.415142\n4.415142 0.000000 4.415142\n4.415142 4.415142 0.000000\nRb Tl Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.734407 0.265593 0.265593 F\n0.265593 0.265593 0.734407 F\n0.265593 0.734407 0.734407 F\n0.265593 0.734407 0.265593 F\n0.734407 0.265593 0.734407 F\n0.734407 0.734407 0.265593 F\n","nsites":10,"nelements":4,"elements":["Rb","Tl","Cu","F"],"chemical_system":"Cu-F-Rb-Tl","density":5.333306789065095,"density_atomic":0.05809462818877931,"volume":172.13295465985013,"volume_molar":10.366088823963153,"formula_full":"Rb2 Tl1 Cu1 F6","formula_reduced":"Rb2TlCuF6","formula_anonymous":"ABC2D6","energy":-43.80779964,"energy_per_atom":-4.380779964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.03579963999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2244464,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.840000Z","spacegroup":225},{"id":"mp-1113790","created_at":"2022-09-04T14:45:33.121083Z","structure_string":"Rb2 Ta1 Cu1 F6\n1.0\n6.211862 -0.000000 -0.000000\n3.105931 5.379630 -0.000000\n3.105931 1.793210 5.071964\nRb Ta Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.261731 0.738269 0.261731 F\n0.738269 0.738269 0.261731 F\n0.738269 0.261731 0.738269 F\n0.738269 0.261731 0.261731 F\n0.261731 0.738269 0.738269 F\n0.261731 0.261731 0.738269 F\n","nsites":10,"nelements":4,"elements":["Rb","Ta","Cu","F"],"chemical_system":"Cu-F-Rb-Ta","density":5.186793886376346,"density_atomic":0.058999676693036865,"volume":169.49245420492616,"volume_molar":10.207074169799194,"formula_full":"Rb2 Ta1 Cu1 F6","formula_reduced":"Rb2TaCuF6","formula_anonymous":"ABC2D6","energy":-54.57397237000001,"energy_per_atom":-5.457397237,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.80197237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9123853,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.930000Z","spacegroup":225}]}