{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10227","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10225","results":[{"id":"mp-1112408","created_at":"2022-09-04T14:42:57.582293Z","structure_string":"Rb2 Hg1 As1 F6\n1.0\n0.000000 4.711220 4.711220\n4.711220 0.000000 4.711220\n4.711220 4.711220 0.000000\nRb Hg As 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 Hg\n0.000000 0.000000 0.000000 As\n0.211451 0.211451 0.788549 F\n0.211451 0.788549 0.788549 F\n0.788549 0.788549 0.211451 F\n0.211451 0.788549 0.211451 F\n0.788549 0.211451 0.788549 F\n0.788549 0.211451 0.211451 F\n","nsites":10,"nelements":4,"elements":["Rb","Hg","As","F"],"chemical_system":"As-F-Hg-Rb","density":4.449858757935786,"density_atomic":0.04781562638482634,"volume":209.1366516778157,"volume_molar":12.594503544788964,"formula_full":"Rb2 Hg1 As1 F6","formula_reduced":"Rb2HgAsF6","formula_anonymous":"ABC2D6","energy":-42.23925252,"energy_per_atom":-4.223925252,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.46725252,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049561,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.875000Z","spacegroup":225},{"id":"mp-1112407","created_at":"2022-09-04T14:47:37.231403Z","structure_string":"Rb2 Cr1 Hg1 F6\n1.0\n6.657218 0.000000 0.000000\n3.328609 5.765320 0.000000\n3.328609 1.921773 5.435596\nRb Cr Hg 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 Cr\n0.500000 0.500000 0.500000 Hg\n0.198685 0.801315 0.198685 F\n0.801315 0.801315 0.198685 F\n0.801315 0.198685 0.801315 F\n0.801315 0.198685 0.198685 F\n0.198685 0.801315 0.801315 F\n0.198685 0.198685 0.801315 F\n","nsites":10,"nelements":4,"elements":["Rb","Cr","Hg","F"],"chemical_system":"Cr-F-Hg-Rb","density":4.278327158487132,"density_atomic":0.047933223185722094,"volume":208.62356702477516,"volume_molar":12.563604864764905,"formula_full":"Rb2 Cr1 Hg1 F6","formula_reduced":"Rb2CrHgF6","formula_anonymous":"ABC2D6","energy":-49.10773109,"energy_per_atom":-4.910773109,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.33673109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.6779837,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.748000Z","spacegroup":225},{"id":"mp-1112406","created_at":"2022-09-04T14:40:06.336589Z","structure_string":"Rb2 Co1 Hg1 F6\n1.0\n6.210912 0.000000 0.000000\n3.105456 5.378808 0.000000\n3.105456 1.792936 5.071188\nRb Co Hg 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 Co\n0.500000 0.500000 0.500000 Hg\n0.233260 0.766740 0.233260 F\n0.766740 0.766740 0.233260 F\n0.766740 0.233260 0.766740 F\n0.766740 0.233260 0.233260 F\n0.233260 0.766740 0.766740 F\n0.233260 0.233260 0.766740 F\n","nsites":10,"nelements":4,"elements":["Rb","Co","Hg","F"],"chemical_system":"Co-F-Hg-Rb","density":5.336485621681625,"density_atomic":0.059026749879343914,"volume":169.4147148613284,"volume_molar":10.202392597101836,"formula_full":"Rb2 Co1 Hg1 F6","formula_reduced":"Rb2CoHgF6","formula_anonymous":"ABC2D6","energy":-43.62685143,"energy_per_atom":-4.362685143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.21685143,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9990997,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.339000Z","spacegroup":225},{"id":"mp-11124","created_at":"2022-09-04T14:41:06.683784Z","structure_string":"Cs2 La2 Hg2 Se6\n1.0\n2.244586 -8.160163 0.000000\n2.244586 8.160163 0.000000\n0.000000 0.000000 11.570939\nCs La Hg Se\n2 2 2 6\ndirect\n0.255441 0.744559 0.750000 Cs\n0.744559 0.255441 0.250000 Cs\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.459173 0.540827 0.250000 Hg\n0.540827 0.459173 0.750000 Hg\n0.062548 0.937452 0.250000 Se\n0.937452 0.062548 0.750000 Se\n0.621123 0.378877 0.551511 Se\n0.621123 0.378877 0.948489 Se\n0.378877 0.621123 0.051511 Se\n0.378877 0.621123 0.448489 Se\n","nsites":12,"nelements":4,"elements":["Cs","La","Hg","Se"],"chemical_system":"Cs-Hg-La-Se","density":5.5572980315623175,"density_atomic":0.02831050149770393,"volume":423.870979501131,"volume_molar":21.271755855290717,"formula_full":"Cs2 La2 Hg2 Se6","formula_reduced":"CsLaHgSe3","formula_anonymous":"ABCD3","energy":-51.63256371,"energy_per_atom":-4.3027136425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.80056371,"band_gap":1.4545,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008384,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.532000Z","spacegroup":63},{"id":"mp-1112399","created_at":"2022-09-04T14:39:48.980151Z","structure_string":"Cs2 Na1 Ta1 I6\n1.0\n0.000000 6.026987 6.026987\n6.026987 0.000000 6.026987\n6.026987 6.026987 0.000000\nCs Na Ta I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.763701 0.236299 0.236299 I\n0.236299 0.236299 0.763701 I\n0.236299 0.763701 0.763701 I\n0.236299 0.763701 0.236299 I\n0.763701 0.236299 0.763701 I\n0.763701 0.763701 0.236299 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Ta","I"],"chemical_system":"Cs-I-Na-Ta","density":4.669154636840154,"density_atomic":0.02283858748135314,"volume":437.8554500432494,"volume_molar":26.36827152693596,"formula_full":"Cs2 Na1 Ta1 I6","formula_reduced":"Cs2NaTaI6","formula_anonymous":"ABC2D6","energy":-35.848147170000004,"energy_per_atom":-3.5848147170000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.57414717,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9982514,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.182000Z","spacegroup":225},{"id":"mp-1112383","created_at":"2022-09-04T14:41:54.992859Z","structure_string":"K2 In1 Cu1 Cl6\n1.0\n0.000000 5.087141 5.087141\n5.087141 0.000000 5.087141\n5.087141 5.087141 0.000000\nK In Cu 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 In\n0.500000 0.500000 0.500000 Cu\n0.746984 0.253016 0.253016 Cl\n0.253016 0.253016 0.746984 Cl\n0.253016 0.746984 0.746984 Cl\n0.253016 0.746984 0.253016 Cl\n0.746984 0.253016 0.746984 Cl\n0.746984 0.746984 0.253016 Cl\n","nsites":10,"nelements":4,"elements":["K","In","Cu","Cl"],"chemical_system":"Cl-Cu-In-K","density":2.959569387135689,"density_atomic":0.037979450681273945,"volume":263.3002800361875,"volume_molar":15.856313485253386,"formula_full":"K2 In1 Cu1 Cl6","formula_reduced":"K2InCuCl6","formula_anonymous":"ABC2D6","energy":-36.70982654,"energy_per_atom":-3.6709826540000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.02582654,"band_gap":0.0444999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0139821,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.311000Z","spacegroup":225},{"id":"mp-1112380","created_at":"2022-09-04T14:46:19.862316Z","structure_string":"K2 Cu1 Mo1 Cl6\n1.0\n7.072344 -0.000000 -0.000000\n3.536172 6.124830 -0.000000\n3.536172 2.041610 5.774545\nK Cu Mo 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 Cu\n0.000000 0.000000 0.000000 Mo\n0.247596 0.752404 0.247596 Cl\n0.752404 0.752404 0.247596 Cl\n0.752404 0.247596 0.752404 Cl\n0.752404 0.247596 0.247596 Cl\n0.247596 0.752404 0.752404 Cl\n0.247596 0.247596 0.752404 Cl\n","nsites":10,"nelements":4,"elements":["K","Cu","Mo","Cl"],"chemical_system":"Cl-Cu-K-Mo","density":2.9900115925038224,"density_atomic":0.039978345256006236,"volume":250.1354154596388,"volume_molar":15.06350680959025,"formula_full":"K2 Cu1 Mo1 Cl6","formula_reduced":"K2CuMoCl6","formula_anonymous":"ABC2D6","energy":-43.62159539,"energy_per_atom":-4.362159539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.93759539,"band_gap":0.7574000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9993167,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.201000Z","spacegroup":225},{"id":"mp-1112379","created_at":"2022-09-04T14:44:26.136486Z","structure_string":"Cs3 Al1 Br6\n1.0\n0.000000 5.940543 5.940543\n5.940543 0.000000 5.940543\n5.940543 5.940543 0.000000\nCs Al Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Al\n0.786890 0.213110 0.213110 Br\n0.213110 0.213110 0.786890 Br\n0.213110 0.786890 0.786890 Br\n0.213110 0.786890 0.213110 Br\n0.786890 0.213110 0.786890 Br\n0.786890 0.786890 0.213110 Br\n","nsites":10,"nelements":3,"elements":["Cs","Al","Br"],"chemical_system":"Al-Br-Cs","density":3.584658109141925,"density_atomic":0.02385017515666589,"volume":419.28413247753855,"volume_molar":25.249880642142248,"formula_full":"Cs3 Al1 Br6","formula_reduced":"Cs3AlBr6","formula_anonymous":"AB3C6","energy":-34.552464539999995,"energy_per_atom":-3.4552464539999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.34846454,"band_gap":3.4333,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004198,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.868000Z","spacegroup":225},{"id":"mp-1112377","created_at":"2022-09-04T14:40:27.893604Z","structure_string":"K2 Ta1 Cu1 Cl6\n1.0\n7.097172 -0.000000 -0.000000\n3.548587 6.146332 -0.000000\n3.548587 2.048777 5.794817\nK Ta Cu 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 Ta\n0.000000 0.000000 0.000000 Cu\n0.252419 0.747581 0.252419 Cl\n0.747581 0.747581 0.252419 Cl\n0.747581 0.252419 0.747581 Cl\n0.747581 0.252419 0.252419 Cl\n0.252419 0.747581 0.747581 Cl\n0.252419 0.252419 0.747581 Cl\n","nsites":10,"nelements":4,"elements":["K","Ta","Cu","Cl"],"chemical_system":"Cl-Cu-K-Ta","density":3.517169282036604,"density_atomic":0.03956024099672876,"volume":252.77904653884443,"volume_molar":15.22270999435512,"formula_full":"K2 Ta1 Cu1 Cl6","formula_reduced":"K2TaCuCl6","formula_anonymous":"ABC2D6","energy":-44.96808656,"energy_per_atom":-4.496808656000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.28408655999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000541,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.532000Z","spacegroup":225},{"id":"mp-1112376","created_at":"2022-09-04T14:41:24.926090Z","structure_string":"Cs3 As1 Br6\n1.0\n0.000000 6.074751 6.074751\n6.074751 0.000000 6.074751\n6.074751 6.074751 0.000000\nCs As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.780159 0.219841 0.219841 Br\n0.219841 0.219841 0.780159 Br\n0.219841 0.780159 0.780159 Br\n0.219841 0.780159 0.219841 Br\n0.780159 0.219841 0.780159 Br\n0.780159 0.780159 0.219841 Br\n","nsites":10,"nelements":3,"elements":["Cs","As","Br"],"chemical_system":"As-Br-Cs","density":3.529838144861019,"density_atomic":0.022304092665312077,"volume":448.34820900615557,"volume_molar":27.000160241289684,"formula_full":"Cs3 As1 Br6","formula_reduced":"Cs3AsBr6","formula_anonymous":"AB3C6","energy":-32.80708456,"energy_per_atom":-3.280708456,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.60308456,"band_gap":2.9211,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0022793,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.598000Z","spacegroup":225},{"id":"mp-1112373","created_at":"2022-09-04T14:40:39.205812Z","structure_string":"Cs3 As1 Cl6\n1.0\n0.000000 5.778035 5.778035\n5.778035 0.000000 5.778035\n5.778035 5.778035 0.000000\nCs As Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.782113 0.217887 0.217887 Cl\n0.217887 0.217887 0.782113 Cl\n0.217887 0.782113 0.782113 Cl\n0.217887 0.782113 0.217887 Cl\n0.782113 0.217887 0.782113 Cl\n0.782113 0.782113 0.217887 Cl\n","nsites":10,"nelements":3,"elements":["Cs","As","Cl"],"chemical_system":"As-Cl-Cs","density":2.954119120841385,"density_atomic":0.025919671893162757,"volume":385.8073528561084,"volume_molar":23.23386185142473,"formula_full":"Cs3 As1 Cl6","formula_reduced":"Cs3AsCl6","formula_anonymous":"AB3C6","energy":-36.64885464,"energy_per_atom":-3.664885464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.96485464,"band_gap":3.4844,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015194,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.936000Z","spacegroup":225},{"id":"mp-1112371","created_at":"2022-09-04T14:41:32.343274Z","structure_string":"Cs3 Bi1 Cl6\n1.0\n0.000000 5.998179 5.998179\n5.998179 0.000000 5.998179\n5.998179 5.998179 0.000000\nCs Bi Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Bi\n0.772982 0.227018 0.227018 Cl\n0.227018 0.227018 0.772982 Cl\n0.227018 0.772982 0.772982 Cl\n0.227018 0.772982 0.227018 Cl\n0.772982 0.227018 0.772982 Cl\n0.772982 0.772982 0.227018 Cl\n","nsites":10,"nelements":3,"elements":["Cs","Bi","Cl"],"chemical_system":"Bi-Cl-Cs","density":3.1564164539591895,"density_atomic":0.023169237336879346,"volume":431.6067833653991,"volume_molar":25.9919680239726,"formula_full":"Cs3 Bi1 Cl6","formula_reduced":"Cs3BiCl6","formula_anonymous":"AB3C6","energy":-37.27910622,"energy_per_atom":-3.7279106220000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.59510622,"band_gap":3.9505,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0030408,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.839000Z","spacegroup":225}]}