{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=73","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=71","results":[{"id":"mp-1185049","created_at":"2022-09-04T14:39:32.561313Z","structure_string":"K1 Pm1\n1.0\n3.710060 -0.000339 0.000000\n-1.855322 3.212823 0.000001\n0.000000 0.000002 7.238882\nK Pm\n1 1\ndirect\n0.666671 0.333332 0.750001 K\n0.333330 0.666668 0.250000 Pm\n","nsites":2,"nelements":2,"elements":["K","Pm"],"chemical_system":"K-Pm","density":3.5430930769437725,"density_atomic":0.023180013332562574,"volume":86.28122733607151,"volume_molar":25.979884798169127,"formula_full":"K1 Pm1","formula_reduced":"KPm","formula_anonymous":"AB","energy":-4.94834385,"energy_per_atom":-2.474171925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.94834385,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033523,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.376000Z","spacegroup":187},{"id":"mp-1093688","created_at":"2022-09-04T14:39:18.788297Z","structure_string":"Ca1 Cd1 Ag2\n1.0\n-5.769184 6.333548 8.951557\n5.769184 -6.333548 8.951557\n5.769184 6.333548 -8.951557\nCa Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248274 0.248274 Ag\n0.000000 0.751726 0.751726 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Ag"],"chemical_system":"Ag-Ca-Cd","density":0.4673506065253821,"density_atomic":0.0030573134148158595,"volume":1308.3382229037575,"volume_molar":196.9749235003671,"formula_full":"Ca1 Cd1 Ag2","formula_reduced":"CaCdAg2","formula_anonymous":"ABC2","energy":-4.94939328,"energy_per_atom":-1.23734832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.94939328,"band_gap":0.5796000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.49e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.043000Z","spacegroup":71},{"id":"mp-1009220","created_at":"2022-09-04T14:42:51.011286Z","structure_string":"Na1 H1\n1.0\n2.955124 0.000000 0.000000\n0.000000 2.955124 0.000000\n0.000000 0.000000 2.955124\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n","nsites":2,"nelements":2,"elements":["Na","H"],"chemical_system":"H-Na","density":1.5441580794665433,"density_atomic":0.07750020808196384,"volume":25.806382324610148,"volume_molar":7.770483343258917,"formula_full":"Na1 H1","formula_reduced":"NaH","formula_anonymous":"AB","energy":-4.949567780000001,"energy_per_atom":-2.4747838900000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.77056778,"band_gap":1.033,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002478,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.165000Z","spacegroup":221},{"id":"mp-1186839","created_at":"2022-09-04T14:48:09.648597Z","structure_string":"Rb3 Er1\n1.0\n6.432978 0.000000 0.000000\n0.000000 6.432978 0.000000\n0.000000 0.000000 6.432978\nRb Er\n3 1\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Er\n","nsites":4,"nelements":2,"elements":["Rb","Er"],"chemical_system":"Er-Rb","density":2.6426084604560245,"density_atomic":0.015025322169664025,"volume":266.21725343606676,"volume_molar":40.07994432331469,"formula_full":"Rb3 Er1","formula_reduced":"Rb3Er","formula_anonymous":"AB3","energy":-4.95022678,"energy_per_atom":-1.237556695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.95022678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0787571,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.343000Z","spacegroup":221},{"id":"mp-1096362","created_at":"2022-09-04T14:44:15.486089Z","structure_string":"Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Sr","Hg","Bi"],"chemical_system":"Bi-Hg-Sr","density":0.5683398709065209,"density_atomic":0.0023410135683647783,"volume":1708.6616045519295,"volume_molar":257.24501734547937,"formula_full":"Sr2 Hg1 Bi1","formula_reduced":"Sr2HgBi","formula_anonymous":"ABC2","energy":-4.95607273,"energy_per_atom":-1.2390181825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.95607273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012801,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.115000Z","spacegroup":71},{"id":"mp-974962","created_at":"2022-09-04T14:43:48.150262Z","structure_string":"Rb3 Ho1\n1.0\n0.000000 5.117385 5.117385\n5.117385 0.000000 5.117385\n5.117385 5.117385 0.000000\nRb Ho\n3 1\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 Ho\n","nsites":4,"nelements":2,"elements":["Rb","Ho"],"chemical_system":"Ho-Rb","density":2.6103638365484247,"density_atomic":0.014924016491194424,"volume":268.02436209850805,"volume_molar":40.35201089166061,"formula_full":"Rb3 Ho1","formula_reduced":"Rb3Ho","formula_anonymous":"AB3","energy":-4.96094655,"energy_per_atom":-1.2402366375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.96094655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4333103,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.029000Z","spacegroup":225},{"id":"mp-1186188","created_at":"2022-09-04T14:43:17.361753Z","structure_string":"Na1 Tl1 Hg2\n1.0\n0.000000 3.798925 3.798925\n3.798925 0.000000 3.798925\n3.798925 3.798925 0.000000\nNa Tl Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":9.518727506151427,"density_atomic":0.03647941261895372,"volume":109.65088834576542,"volume_molar":16.508327101931073,"formula_full":"Na1 Tl1 Hg2","formula_reduced":"NaTlHg2","formula_anonymous":"ABC2","energy":-4.964833,"energy_per_atom":-1.24120825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.964833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0074402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.402000Z","spacegroup":225},{"id":"mp-1684","created_at":"2022-09-04T14:46:24.050613Z","structure_string":"Zn1 Au1\n1.0\n3.194297 0.000000 0.000000\n0.000000 3.194297 0.000000\n0.000000 0.000000 3.194297\nZn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Au\n","nsites":2,"nelements":2,"elements":["Zn","Au"],"chemical_system":"Au-Zn","density":13.367389726023035,"density_atomic":0.06136265114813929,"volume":32.59311588692084,"volume_molar":9.814016583901479,"formula_full":"Zn1 Au1","formula_reduced":"ZnAu","formula_anonymous":"AB","energy":-4.96506019,"energy_per_atom":-2.482530095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.96506019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006418,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.146000Z","spacegroup":221},{"id":"mp-1212244","created_at":"2022-09-04T14:40:29.349525Z","structure_string":"In3 Hg1\n1.0\n2.903808 -5.107257 0.000000\n2.903808 5.107257 0.000000\n0.000000 0.000000 21.434437\nIn Hg\n3 1\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["In","Hg"],"chemical_system":"Hg-In","density":1.4235835943750272,"density_atomic":0.006291617404771586,"volume":635.7665672687575,"volume_molar":95.71689396486165,"formula_full":"In3 Hg1","formula_reduced":"In3Hg","formula_anonymous":"AB3","energy":-4.9655992,"energy_per_atom":-1.2413998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.9655992,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5571846,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.395000Z","spacegroup":65},{"id":"mp-974966","created_at":"2022-09-04T14:47:56.094755Z","structure_string":"Rb3 Lu1\n1.0\n-3.178439 3.178439 6.554356\n3.178439 -3.178439 6.554356\n3.178439 3.178439 -6.554356\nRb Lu\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 Lu\n","nsites":4,"nelements":2,"elements":["Rb","Lu"],"chemical_system":"Lu-Rb","density":2.7044668284118396,"density_atomic":0.015102269350957037,"volume":264.86085680537263,"volume_molar":39.875734037403944,"formula_full":"Rb3 Lu1","formula_reduced":"Rb3Lu","formula_anonymous":"AB3","energy":-4.96770509,"energy_per_atom":-1.2419262725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.96770509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1844422,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.101000Z","spacegroup":139},{"id":"mp-1185047","created_at":"2022-09-04T14:41:17.753634Z","structure_string":"K1 Mg3\n1.0\n-2.651040 2.651040 4.248746\n2.651040 -2.651040 4.248746\n2.651040 2.651040 -4.248746\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n","nsites":4,"nelements":2,"elements":["K","Mg"],"chemical_system":"K-Mg","density":1.5572752031874177,"density_atomic":0.03348934627903334,"volume":119.4409698735827,"volume_molar":17.98225832724086,"formula_full":"K1 Mg3","formula_reduced":"KMg3","formula_anonymous":"AB3","energy":-4.97105713,"energy_per_atom":-1.2427642825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.97105713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034813,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.632000Z","spacegroup":139},{"id":"mp-1097541","created_at":"2022-09-04T14:43:09.420048Z","structure_string":"Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Hg","Pd"],"chemical_system":"Hg-Mg-Pd","density":0.5489817456681741,"density_atomic":0.00371862701560853,"volume":1075.6658259111327,"volume_molar":161.94527535896242,"formula_full":"Mg2 Hg1 Pd1","formula_reduced":"Mg2HgPd","formula_anonymous":"ABC2","energy":-4.97436321,"energy_per_atom":-1.2435908025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.97436321,"band_gap":0.5150000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.158000Z","spacegroup":71}]}