{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=71","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=69","results":[{"id":"mp-1096267","created_at":"2022-09-04T14:42:51.534931Z","structure_string":"Ca1 Pb1 Au2\n1.0\n-5.546765 5.797597 9.138252\n5.546765 -5.797597 9.138252\n5.546765 5.797597 -9.138252\nCa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245413 0.245413 Au\n0.000000 0.754587 0.754587 Au\n","nsites":4,"nelements":3,"elements":["Ca","Pb","Au"],"chemical_system":"Au-Ca-Pb","density":0.9058144478480741,"density_atomic":0.003402899161285556,"volume":1175.4682729090537,"volume_molar":176.97088495931038,"formula_full":"Ca1 Pb1 Au2","formula_reduced":"CaPbAu2","formula_anonymous":"ABC2","energy":-9.04968026,"energy_per_atom":-2.262420065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.04968026,"band_gap":0.7689000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9942516,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.982000Z","spacegroup":71},{"id":"mp-1097378","created_at":"2022-09-04T14:47:09.201590Z","structure_string":"Hf1 Sc1 Hg2\n1.0\n-5.829692 5.970137 8.443256\n5.829692 -5.970137 8.443256\n5.829692 5.970137 -8.443256\nHf Sc Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250972 0.250972 Hg\n0.000000 0.749028 0.749028 Hg\n","nsites":4,"nelements":3,"elements":["Hf","Sc","Hg"],"chemical_system":"Hf-Hg-Sc","density":0.8824075957613926,"density_atomic":0.0034029857866061026,"volume":1175.4383505637022,"volume_molar":176.96638004492098,"formula_full":"Hf1 Sc1 Hg2","formula_reduced":"HfScHg2","formula_anonymous":"ABC2","energy":-7.96946567,"energy_per_atom":-1.9923664175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.96946567,"band_gap":0.1622999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0012557,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.487000Z","spacegroup":71},{"id":"mp-1093853","created_at":"2022-09-04T14:41:04.397309Z","structure_string":"Sc2 Zn1 Cd1\n1.0\n-5.759831 5.976439 8.520642\n5.759831 -5.976439 8.520642\n5.759831 5.976439 -8.520642\nSc Zn Cd\n2 1 1\ndirect\n0.000000 0.241030 0.241030 Sc\n0.000000 0.758970 0.758970 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Cd"],"chemical_system":"Cd-Sc-Zn","density":0.37893485337545485,"density_atomic":0.0034093803158574978,"volume":1173.2337344107516,"volume_molar":176.63446732505005,"formula_full":"Sc2 Zn1 Cd1","formula_reduced":"Sc2ZnCd","formula_anonymous":"ABC2","energy":-6.79094162,"energy_per_atom":-1.697735405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.79094162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9991095,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.745000Z","spacegroup":71},{"id":"mp-1093689","created_at":"2022-09-04T14:41:57.928376Z","structure_string":"Y1 Tl1 Au2\n1.0\n-5.733112 6.010314 8.501231\n5.733112 -6.010314 8.501231\n5.733112 6.010314 -8.501231\nY Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.246265 0.246265 Au\n0.000000 0.753735 0.753735 Au\n","nsites":4,"nelements":3,"elements":["Y","Tl","Au"],"chemical_system":"Au-Tl-Y","density":0.9739057664161073,"density_atomic":0.0034137412111175866,"volume":1171.7349830072458,"volume_molar":176.40882502714607,"formula_full":"Y1 Tl1 Au2","formula_reduced":"YTlAu2","formula_anonymous":"ABC2","energy":-11.14051325,"energy_per_atom":-2.7851283125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.14051325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00039,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.193000Z","spacegroup":71},{"id":"mp-1093947","created_at":"2022-09-04T14:45:29.305358Z","structure_string":"Sr2 Cu1 Pd1\n1.0\n-5.743624 6.008000 8.487450\n5.743624 -6.008000 8.487450\n5.743624 6.008000 -8.487450\nSr Cu Pd\n2 1 1\ndirect\n0.000000 0.262651 0.262651 Sr\n0.000000 0.737349 0.737349 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Sr","Cu","Pd"],"chemical_system":"Cu-Pd-Sr","density":0.48929895393403233,"density_atomic":0.0034143406259796055,"volume":1171.5292755398016,"volume_molar":176.37785504403774,"formula_full":"Sr2 Cu1 Pd1","formula_reduced":"Sr2CuPd","formula_anonymous":"ABC2","energy":-8.46696113,"energy_per_atom":-2.1167402825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.46696113,"band_gap":0.1976,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006753,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.556000Z","spacegroup":71},{"id":"mp-1097324","created_at":"2022-09-04T14:44:53.692484Z","structure_string":"Hf2 Zn1 Hg1\n1.0\n-5.669606 6.111512 8.438945\n5.669606 -6.111512 8.438945\n5.669606 6.111512 -8.438945\nHf Zn Hg\n2 1 1\ndirect\n0.000000 0.244812 0.244812 Hf\n0.000000 0.755188 0.755188 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Hf","Zn","Hg"],"chemical_system":"Hf-Hg-Zn","density":0.8844490276063907,"density_atomic":0.003419875495727116,"volume":1169.6332234894828,"volume_molar":176.0923977356551,"formula_full":"Hf2 Zn1 Hg1","formula_reduced":"Hf2ZnHg","formula_anonymous":"ABC2","energy":-9.76383492,"energy_per_atom":-2.44095873,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.76383492,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0004369,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.923000Z","spacegroup":71},{"id":"mp-1093739","created_at":"2022-09-04T14:43:07.588531Z","structure_string":"Zr1 Ag1 Hg2\n1.0\n-5.749821 6.047442 8.409362\n5.749821 -6.047442 8.409362\n5.749821 6.047442 -8.409362\nZr Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.259519 0.259519 Hg\n0.000000 0.740481 0.740481 Hg\n","nsites":4,"nelements":3,"elements":["Zr","Ag","Hg"],"chemical_system":"Ag-Hg-Zr","density":0.8522131910734714,"density_atomic":0.003419880378232928,"volume":1169.6315536237623,"volume_molar":176.0921463314946,"formula_full":"Zr1 Ag1 Hg2","formula_reduced":"ZrAgHg2","formula_anonymous":"ABC2","energy":-5.50197985,"energy_per_atom":-1.3754949625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.50197985,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3523074,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.401000Z","spacegroup":71},{"id":"mp-1227541","created_at":"2022-09-04T14:47:28.967368Z","structure_string":"Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n","nsites":1,"nelements":1,"elements":["Ca"],"chemical_system":"Ca","density":0.22762757150769555,"density_atomic":0.003420343522506185,"volume":292.3682938336179,"volume_molar":176.06830192270866,"formula_full":"Ca1","formula_reduced":"Ca","formula_anonymous":"A","energy":-1.03268839,"energy_per_atom":-1.03268839,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.03268839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005871,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.019000Z","spacegroup":123},{"id":"mp-1097220","created_at":"2022-09-04T14:46:11.526369Z","structure_string":"Sc2 Zn1 Hg1\n1.0\n-5.723503 6.047359 8.444649\n5.723503 -6.047359 8.444649\n5.723503 6.047359 -8.444649\nSc Zn Hg\n2 1 1\ndirect\n0.000000 0.247925 0.247925 Sc\n0.000000 0.752075 0.752075 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Hg"],"chemical_system":"Hg-Sc-Zn","density":0.5054998525850921,"density_atomic":0.0034212966419685862,"volume":1169.1473784916916,"volume_molar":176.01925206154908,"formula_full":"Sc2 Zn1 Hg1","formula_reduced":"Sc2ZnHg","formula_anonymous":"ABC2","energy":-6.69662813,"energy_per_atom":-1.6741570325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.69662813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7941917,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.727000Z","spacegroup":71},{"id":"mp-1093978","created_at":"2022-09-04T14:42:48.524630Z","structure_string":"Y2 Cd1 Ir1\n1.0\n-5.690332 5.980446 8.588684\n5.690332 -5.980446 8.588684\n5.690332 5.980446 -8.588684\nY Cd Ir\n2 1 1\ndirect\n0.000000 0.285298 0.285298 Y\n0.000000 0.714702 0.714702 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Y","Cd","Ir"],"chemical_system":"Cd-Ir-Y","density":0.6852268017501794,"density_atomic":0.0034213869663630384,"volume":1169.116513076576,"volume_molar":176.01460516468802,"formula_full":"Y2 Cd1 Ir1","formula_reduced":"Y2CdIr","formula_anonymous":"ABC2","energy":-15.10823924,"energy_per_atom":-3.77705981,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.10823924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3719112,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.629000Z","spacegroup":71},{"id":"mp-1097110","created_at":"2022-09-04T14:44:49.590116Z","structure_string":"Y1 Sc1 Ag2\n1.0\n-5.593343 6.026628 8.655981\n5.593343 -6.026628 8.655981\n5.593343 6.026628 -8.655981\nY Sc Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244602 0.244602 Ag\n0.000000 0.755398 0.755398 Ag\n","nsites":4,"nelements":3,"elements":["Y","Sc","Ag"],"chemical_system":"Ag-Sc-Y","density":0.49738892965817094,"density_atomic":0.0034271875238318576,"volume":1167.1377688512632,"volume_molar":175.71669825836628,"formula_full":"Y1 Sc1 Ag2","formula_reduced":"YScAg2","formula_anonymous":"ABC2","energy":-10.27740108,"energy_per_atom":-2.56935027,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.27740108,"band_gap":0.0766999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.005474,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.462000Z","spacegroup":71},{"id":"mp-1093961","created_at":"2022-09-04T14:47:22.363537Z","structure_string":"Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Sc","In","Cu"],"chemical_system":"Cu-In-Sc","density":0.38176000832671436,"density_atomic":0.003427834045123255,"volume":1166.9176358437655,"volume_molar":175.68355645943944,"formula_full":"Sc2 In1 Cu1","formula_reduced":"Sc2InCu","formula_anonymous":"ABC2","energy":-10.97450487,"energy_per_atom":-2.7436262175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.97450487,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0002171,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.854000Z","spacegroup":71}]}