{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=38","results":[{"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-12628","created_at":"2022-09-04T14:45:54.824065Z","structure_string":"Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n","nsites":1,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5614484407092162,"density_atomic":0.011002111090589649,"volume":90.89164722716919,"volume_molar":54.73622935102765,"formula_full":"Rb1","formula_reduced":"Rb","formula_anonymous":"A","energy":-0.96519287,"energy_per_atom":-0.96519287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.96519287,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022741,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.586000Z","spacegroup":225},{"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-1186819","created_at":"2022-09-04T14:39:48.209360Z","structure_string":"Rb4 Mg2\n1.0\n2.226736 9.713351 0.000000\n-2.226736 9.713351 0.000000\n0.000000 2.322908 8.675127\nRb Mg\n4 2\ndirect\n0.880628 0.880628 0.561835 Rb\n0.119372 0.119372 0.438165 Rb\n0.842923 0.842923 0.092759 Rb\n0.157077 0.157077 0.907241 Rb\n0.497669 0.497669 0.824409 Mg\n0.502331 0.502331 0.175591 Mg\n","nsites":6,"nelements":2,"elements":["Rb","Mg"],"chemical_system":"Mg-Rb","density":1.7278481670040944,"density_atomic":0.015988495544270773,"volume":375.269829696391,"volume_molar":37.66546229021491,"formula_full":"Rb4 Mg2","formula_reduced":"Rb2Mg","formula_anonymous":"AB2","energy":-5.81184339,"energy_per_atom":-0.968640565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.81184339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3689947,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.801000Z","spacegroup":12},{"id":"mp-975204","created_at":"2022-09-04T14:40:40.967739Z","structure_string":"Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n","nsites":2,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.554570124248827,"density_atomic":0.01095364583240984,"volume":182.58760878340294,"volume_molar":54.97841405627324,"formula_full":"Rb2","formula_reduced":"Rb","formula_anonymous":"A","energy":-1.93738593,"energy_per_atom":-0.968692965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.93738593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0221897,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.617000Z","spacegroup":63},{"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},{"id":"mp-1096001","created_at":"2022-09-04T14:42:47.317468Z","structure_string":"Li2 Cd1 Ga1\n1.0\n-5.395811 5.635955 7.893240\n5.395811 -5.635955 7.893240\n5.395811 5.635955 -7.893240\nLi Cd Ga\n2 1 1\ndirect\n0.239963 0.000000 0.239963 Li\n0.760037 0.000000 0.760037 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Cd","Ga"],"chemical_system":"Cd-Ga-Li","density":0.3390010743749378,"density_atomic":0.004166011322305541,"volume":960.1510150928569,"volume_molar":144.55411409365172,"formula_full":"Li2 Cd1 Ga1","formula_reduced":"Li2CdGa","formula_anonymous":"ABC2","energy":-3.88062278,"energy_per_atom":-0.970155695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.88062278,"band_gap":0.0028999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0021279,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.016000Z","spacegroup":71},{"id":"mp-975129","created_at":"2022-09-04T14:39:09.466263Z","structure_string":"Rb2\n1.0\n2.525341 -4.374019 0.000000\n2.525341 4.374019 0.000000\n0.000000 0.000000 8.192657\nRb\n2\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n","nsites":2,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5682892113012328,"density_atomic":0.01105031179708523,"volume":180.99036812043127,"volume_molar":54.497473651272685,"formula_full":"Rb2","formula_reduced":"Rb","formula_anonymous":"A","energy":-1.94102164,"energy_per_atom":-0.97051082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.94102164,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001746,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.979000Z","spacegroup":194},{"id":"mp-998861","created_at":"2022-09-04T14:45:58.407954Z","structure_string":"Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n","nsites":1,"nelements":1,"elements":["Br"],"chemical_system":"Br","density":5.030849068090698,"density_atomic":0.037916100872080034,"volume":26.374019928203158,"volume_molar":15.882806041468449,"formula_full":"Br1","formula_reduced":"Br","formula_anonymous":"A","energy":-0.97066589,"energy_per_atom":-0.97066589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.97066589,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0652367,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.184000Z","spacegroup":225}]}