{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=45","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=43","results":[{"id":"mp-1227938","created_at":"2022-09-04T14:39:25.300188Z","structure_string":"Ba1 Ca1\n1.0\n3.001579 -3.155770 0.000000\n3.001579 3.155770 0.000000\n0.000000 0.000000 5.586277\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n","nsites":2,"nelements":2,"elements":["Ba","Ca"],"chemical_system":"Ba-Ca","density":2.7836034712504993,"density_atomic":0.018898285763860254,"volume":105.82970460869306,"volume_molar":31.86606888713852,"formula_full":"Ba1 Ca1","formula_reduced":"BaCa","formula_anonymous":"AB","energy":-3.8429926,"energy_per_atom":-1.9214963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.8429926,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010957,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.459000Z","spacegroup":65},{"id":"mp-1186891","created_at":"2022-09-04T14:40:55.534351Z","structure_string":"Rb3 Yb1\n1.0\n-3.742298 3.742298 5.462788\n3.742298 -3.742298 5.462788\n3.742298 3.742298 -5.462788\nRb Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Yb\n","nsites":4,"nelements":2,"elements":["Rb","Yb"],"chemical_system":"Rb-Yb","density":2.3302577282082293,"density_atomic":0.013071003118173274,"volume":306.020889432625,"volume_molar":46.072521791591605,"formula_full":"Rb3 Yb1","formula_reduced":"Rb3Yb","formula_anonymous":"AB3","energy":-3.84380468,"energy_per_atom":-0.96095117,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.84380468,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0466168,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.298000Z","spacegroup":139},{"id":"mp-1096552","created_at":"2022-09-04T14:43:38.608374Z","structure_string":"Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Li","Zn","In"],"chemical_system":"In-Li-Zn","density":0.3147053167340577,"density_atomic":0.003905433990073246,"volume":1024.2139568015027,"volume_molar":154.19901540538024,"formula_full":"Li2 Zn1 In1","formula_reduced":"Li2ZnIn","formula_anonymous":"ABC2","energy":-3.84474231,"energy_per_atom":-0.9611855775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.84474231,"band_gap":0.0024000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0012004,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.128000Z","spacegroup":71},{"id":"mp-1096124","created_at":"2022-09-04T14:40:07.529368Z","structure_string":"Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Li","Cd","In"],"chemical_system":"Cd-In-Li","density":0.3833031369224365,"density_atomic":0.0038294485860772293,"volume":1044.5368073468453,"volume_molar":157.2586920710926,"formula_full":"Li2 Cd1 In1","formula_reduced":"Li2CdIn","formula_anonymous":"ABC2","energy":-3.84571928,"energy_per_atom":-0.96142982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.84571928,"band_gap":0.0022999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0003942,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.160000Z","spacegroup":71},{"id":"mp-1093935","created_at":"2022-09-04T14:41:19.900384Z","structure_string":"Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Ga"],"chemical_system":"Ga-Sr-Tl","density":0.41792180171955423,"density_atomic":0.002240395808308836,"volume":1785.398805499195,"volume_molar":268.7980729863004,"formula_full":"Sr2 Tl1 Ga1","formula_reduced":"Sr2TlGa","formula_anonymous":"ABC2","energy":-3.85411723,"energy_per_atom":-0.9635293075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.85411723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9808662,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.415000Z","spacegroup":71},{"id":"mp-983365","created_at":"2022-09-04T14:44:56.779844Z","structure_string":"K3 Hg1\n1.0\n-2.942159 2.942159 5.946657\n2.942159 -2.942159 5.946657\n2.942159 2.942159 -5.946657\nK Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["K","Hg"],"chemical_system":"Hg-K","density":2.5636210992340356,"density_atomic":0.019426512074311803,"volume":205.90417799648694,"volume_molar":30.99959857417348,"formula_full":"K3 Hg1","formula_reduced":"K3Hg","formula_anonymous":"AB3","energy":-3.86031069,"energy_per_atom":-0.9650776725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.86031069,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0390885,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.473000Z","spacegroup":139},{"id":"mp-974981","created_at":"2022-09-04T14:41:12.912628Z","structure_string":"Rb3 Mg1\n1.0\n-2.517592 3.711235 7.282531\n2.517592 -3.711235 7.282531\n2.517592 3.711235 -7.282531\nRb Mg\n3 1\ndirect\n0.759484 0.708633 0.050851 Rb\n0.090383 0.500000 0.590383 Rb\n0.342219 0.291367 0.050851 Rb\n0.641244 0.000000 0.641244 Mg\n","nsites":4,"nelements":2,"elements":["Rb","Mg"],"chemical_system":"Mg-Rb","density":1.7126095749447197,"density_atomic":0.014696497761812649,"volume":272.1736882370433,"volume_molar":40.97670654329577,"formula_full":"Rb3 Mg1","formula_reduced":"Rb3Mg","formula_anonymous":"AB3","energy":-3.8616348,"energy_per_atom":-0.9654087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.8616348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044425,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.112000Z","spacegroup":44},{"id":"mp-1183953","created_at":"2022-09-04T14:43:08.458037Z","structure_string":"Cs1 K1 Rb2\n1.0\n0.000000 5.693600 5.693600\n5.693600 0.000000 5.693600\n5.693600 5.693600 0.000000\nCs K Rb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n","nsites":4,"nelements":3,"elements":["Cs","K","Rb"],"chemical_system":"Cs-K-Rb","density":1.5426789945505686,"density_atomic":0.010836003514228724,"volume":369.139784307712,"volume_molar":55.57529353042701,"formula_full":"Cs1 K1 Rb2","formula_reduced":"CsKRb2","formula_anonymous":"ABC2","energy":-3.8672623,"energy_per_atom":-0.966815575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.8672623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029665,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.617000Z","spacegroup":225},{"id":"mp-2642","created_at":"2022-09-04T14:40:09.333446Z","structure_string":"Cd1 Ag1\n1.0\n3.394801 0.000000 0.000000\n0.000000 3.394801 0.000000\n0.000000 0.000000 3.394801\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n","nsites":2,"nelements":2,"elements":["Cd","Ag"],"chemical_system":"Ag-Cd","density":9.34931136858541,"density_atomic":0.05111955108802524,"volume":39.12397424140331,"volume_molar":11.780503998617247,"formula_full":"Cd1 Ag1","formula_reduced":"CdAg","formula_anonymous":"AB","energy":-3.86928242,"energy_per_atom":-1.93464121,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.86928242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.89e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.781000Z","spacegroup":221},{"id":"mp-1096442","created_at":"2022-09-04T14:42:07.521892Z","structure_string":"Li2 Zn1 Ga1\n1.0\n-5.316634 5.462811 7.484779\n5.316634 -5.462811 7.484779\n5.316634 5.462811 -7.484779\nLi Zn Ga\n2 1 1\ndirect\n0.749294 0.000000 0.749294 Li\n0.250706 0.000000 0.250706 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Zn","Ga"],"chemical_system":"Ga-Li-Zn","density":0.28456681801197253,"density_atomic":0.004600108538219551,"volume":869.5447002535684,"volume_molar":130.9130145509749,"formula_full":"Li2 Zn1 Ga1","formula_reduced":"Li2ZnGa","formula_anonymous":"ABC2","energy":-3.87591088,"energy_per_atom":-0.96897772,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.87591088,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9997104,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.146000Z","spacegroup":71},{"id":"mp-983388","created_at":"2022-09-04T14:40:54.270910Z","structure_string":"K3 Hg1\n1.0\n0.000000 4.673705 4.673705\n4.673705 0.000000 4.673705\n4.673705 4.673705 0.000000\nK Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["K","Hg"],"chemical_system":"Hg-K","density":2.585265261913387,"density_atomic":0.0195905264006701,"volume":204.18032257995776,"volume_molar":30.7400660749678,"formula_full":"K3 Hg1","formula_reduced":"K3Hg","formula_anonymous":"AB3","energy":-3.87768566,"energy_per_atom":-0.969421415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.87768566,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4707555,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.864000Z","spacegroup":225},{"id":"mp-1096408","created_at":"2022-09-04T14:40:04.972645Z","structure_string":"Li2 Mg1 Ga1\n1.0\n-5.654088 5.769143 7.853717\n5.654088 -5.769143 7.853717\n5.654088 5.769143 -7.853717\nLi Mg Ga\n2 1 1\ndirect\n0.262825 0.000000 0.262825 Li\n0.737175 0.000000 0.737175 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ga"],"chemical_system":"Ga-Li-Mg","density":0.1748645132233259,"density_atomic":0.003903470347228855,"volume":1024.7291881798649,"volume_molar":154.27658530249187,"formula_full":"Li2 Mg1 Ga1","formula_reduced":"Li2MgGa","formula_anonymous":"ABC2","energy":-3.87996639,"energy_per_atom":-0.9699915975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.87996639,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0015322,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.326000Z","spacegroup":71}]}