{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10191","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10189","results":[{"id":"mp-1113503","created_at":"2022-09-04T14:46:14.634897Z","structure_string":"Na3 Nd1 Cl6\n1.0\n0.000000 5.418764 5.418764\n5.418764 0.000000 5.418764\n5.418764 5.418764 0.000000\nNa Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.749830 0.250170 0.250170 Cl\n0.250170 0.250170 0.749830 Cl\n0.250170 0.749830 0.749830 Cl\n0.250170 0.749830 0.250170 Cl\n0.749830 0.250170 0.749830 Cl\n0.749830 0.749830 0.250170 Cl\n","nsites":10,"nelements":3,"elements":["Na","Nd","Cl"],"chemical_system":"Cl-Na-Nd","density":2.2225723937122193,"density_atomic":0.031424566383392666,"volume":318.2223702944975,"volume_molar":19.163799068943067,"formula_full":"Na3 Nd1 Cl6","formula_reduced":"Na3NdCl6","formula_anonymous":"AB3C6","energy":-41.76990667,"energy_per_atom":-4.176990667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.08590667,"band_gap":3.8903,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001561,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.249000Z","spacegroup":225},{"id":"mp-1113502","created_at":"2022-09-04T14:43:21.182442Z","structure_string":"Rb2 Sc1 Hg1 I6\n1.0\n0.000000 6.106247 6.106247\n6.106247 0.000000 6.106247\n6.106247 6.106247 0.000000\nRb Sc Hg I\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 Sc\n0.500000 0.500000 0.500000 Hg\n0.762244 0.237756 0.237756 I\n0.237756 0.237756 0.762244 I\n0.237756 0.762244 0.762244 I\n0.237756 0.762244 0.237756 I\n0.762244 0.237756 0.762244 I\n0.762244 0.762244 0.237756 I\n","nsites":10,"nelements":4,"elements":["Rb","Sc","Hg","I"],"chemical_system":"Hg-I-Rb-Sc","density":4.295438372604636,"density_atomic":0.02196073651227877,"volume":455.3581340229078,"volume_molar":27.422307792968958,"formula_full":"Rb2 Sc1 Hg1 I6","formula_reduced":"Rb2ScHgI6","formula_anonymous":"ABC2D6","energy":-30.64303389,"energy_per_atom":-3.064303389,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.36903389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.6602346,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.354000Z","spacegroup":225},{"id":"mp-1113500","created_at":"2022-09-04T14:41:26.117604Z","structure_string":"Rb2 Eu1 Au1 Cl6\n1.0\n7.662151 0.000000 0.000000\n3.831076 6.635618 0.000000\n3.831076 2.211873 6.256120\nRb Eu Au Cl\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 Eu\n0.500000 0.500000 0.500000 Au\n0.253067 0.746933 0.253067 Cl\n0.746933 0.746933 0.253067 Cl\n0.746933 0.253067 0.746933 Cl\n0.746933 0.253067 0.253067 Cl\n0.253067 0.746933 0.746933 Cl\n0.253067 0.253067 0.746933 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Eu","Au","Cl"],"chemical_system":"Au-Cl-Eu-Rb","density":3.8244542795703675,"density_atomic":0.03143857454789786,"volume":318.08057915490474,"volume_molar":19.155260206931583,"formula_full":"Rb2 Eu1 Au1 Cl6","formula_reduced":"Rb2EuAuCl6","formula_anonymous":"ABC2D6","energy":-45.82750813,"energy_per_atom":-4.582750813,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.14350813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.999764,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.890000Z","spacegroup":225},{"id":"mp-1113498","created_at":"2022-09-04T14:45:17.191759Z","structure_string":"Rb2 La1 Au1 Cl6\n1.0\n0.000000 5.519258 5.519258\n5.519258 0.000000 5.519258\n5.519258 5.519258 0.000000\nRb La Au Cl\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 La\n0.500000 0.500000 0.500000 Au\n0.749373 0.250627 0.250627 Cl\n0.250627 0.250627 0.749373 Cl\n0.250627 0.749373 0.749373 Cl\n0.250627 0.749373 0.250627 Cl\n0.749373 0.250627 0.749373 Cl\n0.749373 0.749373 0.250627 Cl\n","nsites":10,"nelements":4,"elements":["Rb","La","Au","Cl"],"chemical_system":"Au-Cl-La-Rb","density":3.5532297381472073,"density_atomic":0.029739106549245758,"volume":336.25758001306264,"volume_molar":20.24990478455626,"formula_full":"Rb2 La1 Au1 Cl6","formula_reduced":"Rb2LaAuCl6","formula_anonymous":"ABC2D6","energy":-41.77626906,"energy_per_atom":-4.1776269059999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.09226906,"band_gap":2.301,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002705,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.826000Z","spacegroup":225},{"id":"mp-1113494","created_at":"2022-09-04T14:41:17.514001Z","structure_string":"Rb2 Lu1 Au1 Cl6\n1.0\n0.000000 5.338783 5.338783\n5.338783 0.000000 5.338783\n5.338783 5.338783 0.000000\nRb Lu Au Cl\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 Lu\n0.500000 0.500000 0.500000 Au\n0.758261 0.241739 0.241739 Cl\n0.241739 0.241739 0.758261 Cl\n0.241739 0.758261 0.758261 Cl\n0.241739 0.758261 0.241739 Cl\n0.758261 0.241739 0.758261 Cl\n0.758261 0.758261 0.241739 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Lu","Au","Cl"],"chemical_system":"Au-Cl-Lu-Rb","density":4.122653828608794,"density_atomic":0.03285815679225068,"volume":304.3384345392866,"volume_molar":18.327688914736296,"formula_full":"Rb2 Lu1 Au1 Cl6","formula_reduced":"Rb2LuAuCl6","formula_anonymous":"ABC2D6","energy":-41.26951832,"energy_per_atom":-4.1269518320000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.58551832,"band_gap":2.0926,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003144,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.575000Z","spacegroup":225},{"id":"mp-1113490","created_at":"2022-09-04T14:43:24.656728Z","structure_string":"Cs2 Cu1 Au1 Cl6\n1.0\n0.000000 5.090872 5.090872\n5.090872 0.000000 5.090872\n5.090872 5.090872 0.000000\nCs Cu Au Cl\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 Cu\n0.000000 0.000000 0.000000 Au\n0.742826 0.257174 0.257174 Cl\n0.257174 0.257174 0.742826 Cl\n0.257174 0.742826 0.742826 Cl\n0.257174 0.742826 0.257174 Cl\n0.742826 0.257174 0.742826 Cl\n0.742826 0.742826 0.257174 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Cu","Au","Cl"],"chemical_system":"Au-Cl-Cs-Cu","density":4.650625612889916,"density_atomic":0.03789600868602684,"volume":263.88003240265346,"volume_molar":15.891226988821401,"formula_full":"Cs2 Cu1 Au1 Cl6","formula_reduced":"Cs2CuAuCl6","formula_anonymous":"ABC2D6","energy":-34.19078693,"energy_per_atom":-3.4190786930000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.50678693,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000112,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.917000Z","spacegroup":225},{"id":"mp-1113488","created_at":"2022-09-04T14:44:04.487234Z","structure_string":"Rb2 Mn1 Hg1 F6\n1.0\n6.301278 0.000000 0.000000\n3.150639 5.457067 0.000000\n3.150639 1.819022 5.144972\nRb Mn 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 Mn\n0.500000 0.500000 0.500000 Hg\n0.233060 0.766940 0.233060 F\n0.766940 0.766940 0.233060 F\n0.766940 0.233060 0.766940 F\n0.766940 0.233060 0.233060 F\n0.233060 0.766940 0.766940 F\n0.233060 0.233060 0.766940 F\n","nsites":10,"nelements":4,"elements":["Rb","Mn","Hg","F"],"chemical_system":"F-Hg-Mn-Rb","density":5.072673881759817,"density_atomic":0.05652350158807461,"volume":176.91756028982132,"volume_molar":10.654224509810906,"formula_full":"Rb2 Mn1 Hg1 F6","formula_reduced":"Rb2MnHgF6","formula_anonymous":"ABC2D6","energy":-49.1178564,"energy_per_atom":-4.91178564,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.67785640000001,"band_gap":0.3673,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9999587,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.942000Z","spacegroup":225},{"id":"mp-1113487","created_at":"2022-09-04T14:47:29.554526Z","structure_string":"Rb2 Fe1 Cu1 F6\n1.0\n5.976059 0.000000 0.000000\n2.988030 5.175419 0.000000\n2.988030 1.725140 4.879432\nRb Fe 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 Fe\n0.500000 0.500000 0.500000 Cu\n0.238147 0.761853 0.238147 F\n0.761853 0.761853 0.238147 F\n0.761853 0.238147 0.761853 F\n0.761853 0.238147 0.238147 F\n0.238147 0.761853 0.761853 F\n0.238147 0.238147 0.761853 F\n","nsites":10,"nelements":4,"elements":["Rb","Fe","Cu","F"],"chemical_system":"Cu-F-Fe-Rb","density":4.448785410624736,"density_atomic":0.0662628845456106,"volume":150.91404590327966,"volume_molar":9.088256270906514,"formula_full":"Rb2 Fe1 Cu1 F6","formula_reduced":"Rb2FeCuF6","formula_anonymous":"ABC2D6","energy":-51.39468651999999,"energy_per_atom":-5.139468652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.36668652,"band_gap":0.5338,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0007109,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.025000Z","spacegroup":225},{"id":"mp-1113481","created_at":"2022-09-04T14:41:13.746448Z","structure_string":"Cs2 In1 Cu1 Br6\n1.0\n0.000000 5.467702 5.467702\n5.467702 0.000000 5.467702\n5.467702 5.467702 0.000000\nCs In Cu Br\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 In\n0.500000 0.500000 0.500000 Cu\n0.745872 0.254128 0.254128 Br\n0.254128 0.254128 0.745872 Br\n0.254128 0.745872 0.745872 Br\n0.254128 0.745872 0.254128 Br\n0.745872 0.254128 0.745872 Br\n0.745872 0.745872 0.254128 Br\n","nsites":10,"nelements":4,"elements":["Cs","In","Cu","Br"],"chemical_system":"Br-Cs-Cu-In","density":4.691243768717036,"density_atomic":0.03058831080051562,"volume":326.9222699225167,"volume_molar":19.687719270521097,"formula_full":"Cs2 In1 Cu1 Br6","formula_reduced":"Cs2InCuBr6","formula_anonymous":"ABC2D6","energy":-32.74735985,"energy_per_atom":-3.2747359850000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.54335985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012125,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.174000Z","spacegroup":225},{"id":"mp-1113477","created_at":"2022-09-04T14:39:33.986548Z","structure_string":"Na3 Ni1 F6\n1.0\n5.729873 0.000000 0.000000\n2.864937 4.962216 0.000000\n2.864937 1.654072 4.678422\nNa Ni F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.232031 0.767969 0.232031 F\n0.767969 0.767969 0.232031 F\n0.767969 0.232031 0.767969 F\n0.767969 0.232031 0.232031 F\n0.232031 0.767969 0.767969 F\n0.232031 0.232031 0.767969 F\n","nsites":10,"nelements":3,"elements":["Na","Ni","F"],"chemical_system":"F-Na-Ni","density":3.016625950769805,"density_atomic":0.07517612672595592,"volume":133.02095273481706,"volume_molar":8.010709013983753,"formula_full":"Na3 Ni1 F6","formula_reduced":"Na3NiF6","formula_anonymous":"AB3C6","energy":-46.08880726000001,"energy_per_atom":-4.608880726000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.77580726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000643,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.375000Z","spacegroup":225},{"id":"mp-1113476","created_at":"2022-09-04T14:46:28.615468Z","structure_string":"Rb2 Hg1 Au1 F6\n1.0\n0.000000 4.578999 4.578999\n4.578999 0.000000 4.578999\n4.578999 4.578999 0.000000\nRb Hg Au 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 Hg\n0.000000 0.000000 0.000000 Au\n0.752674 0.247326 0.247326 F\n0.247326 0.247326 0.752674 F\n0.247326 0.752674 0.752674 F\n0.247326 0.752674 0.247326 F\n0.752674 0.247326 0.752674 F\n0.752674 0.752674 0.247326 F\n","nsites":10,"nelements":4,"elements":["Rb","Hg","Au","F"],"chemical_system":"Au-F-Hg-Rb","density":5.90199764254126,"density_atomic":0.05207848697590321,"volume":192.01786727458142,"volume_molar":11.56358625162527,"formula_full":"Rb2 Hg1 Au1 F6","formula_reduced":"Rb2HgAuF6","formula_anonymous":"ABC2D6","energy":-37.39799538,"energy_per_atom":-3.7397995379999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.62599538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9842037,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.174000Z","spacegroup":225},{"id":"mp-1113474","created_at":"2022-09-04T14:41:57.195768Z","structure_string":"Rb2 Cu1 Ni1 F6\n1.0\n5.842553 0.000000 0.000000\n2.921277 5.059799 0.000000\n2.921277 1.686600 4.770425\nRb Cu Ni 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 Ni\n0.244856 0.755144 0.244856 F\n0.755144 0.755144 0.244856 F\n0.755144 0.244856 0.755144 F\n0.755144 0.244856 0.244856 F\n0.244856 0.755144 0.755144 F\n0.244856 0.244856 0.755144 F\n","nsites":10,"nelements":4,"elements":["Rb","Cu","Ni","F"],"chemical_system":"Cu-F-Ni-Rb","density":4.794319642474107,"density_atomic":0.07090992108838089,"volume":141.02398996518662,"volume_molar":8.492663181071814,"formula_full":"Rb2 Cu1 Ni1 F6","formula_reduced":"Rb2CuNiF6","formula_anonymous":"ABC2D6","energy":-47.80264441,"energy_per_atom":-4.780264441,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.48964441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9995653,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.317000Z","spacegroup":225}]}