{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=72","results":[{"id":"mp-973777","created_at":"2022-09-04T14:45:40.047532Z","structure_string":"Hg3 F1\n1.0\n4.421456 0.000000 0.000000\n0.000000 4.421456 0.000000\n0.000000 0.000000 4.421456\nHg F\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Hg","F"],"chemical_system":"F-Hg","density":11.925669746237832,"density_atomic":0.04627687976625192,"volume":86.43625110863799,"volume_molar":13.013281773573102,"formula_full":"Hg3 F1","formula_reduced":"Hg3F","formula_anonymous":"AB3","energy":-4.98693747,"energy_per_atom":-1.2467343675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52493747,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002266,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.935000Z","spacegroup":221},{"id":"mp-1187812","created_at":"2022-09-04T14:40:10.626770Z","structure_string":"Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n","nsites":3,"nelements":1,"elements":["Zn"],"chemical_system":"Zn","density":7.2025879821277154,"density_atomic":0.06631350223921316,"volume":45.23965555578831,"volume_molar":9.08131912302911,"formula_full":"Zn3","formula_reduced":"Zn","formula_anonymous":"A","energy":-3.74668138,"energy_per_atom":-1.2488937933333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74668138,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.328000Z","spacegroup":166},{"id":"mp-1097574","created_at":"2022-09-04T14:44:28.202268Z","structure_string":"Ba2 Hg1 Ge1\n1.0\n-6.462767 6.606354 9.292899\n6.462767 -6.606354 9.292899\n6.462767 6.606354 -9.292899\nBa Hg Ge\n2 1 1\ndirect\n0.000000 0.220861 0.220861 Ba\n0.000000 0.779139 0.779139 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Ba","Hg","Ge"],"chemical_system":"Ba-Ge-Hg","density":0.5732527761637736,"density_atomic":0.0025203940325412145,"volume":1587.053432263112,"volume_molar":238.93647906823963,"formula_full":"Ba2 Hg1 Ge1","formula_reduced":"Ba2HgGe","formula_anonymous":"ABC2","energy":-5.00219078,"energy_per_atom":-1.250547695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00219078,"band_gap":0.1664000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.902000Z","spacegroup":71},{"id":"mp-1026639","created_at":"2022-09-04T14:44:16.594452Z","structure_string":"Cs1 Rb1 Mg14\n1.0\n7.067559 0.000000 0.000000\n-3.533779 6.120685 0.000000\n0.000000 0.000000 10.525846\nCs Rb Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Rb\n0.173857 0.836928 0.125000 Mg\n0.174734 0.837367 0.625000 Mg\n0.663072 0.326143 0.125000 Mg\n0.662633 0.325266 0.625000 Mg\n0.663072 0.836928 0.125000 Mg\n0.662633 0.837367 0.625000 Mg\n0.355007 0.144993 0.371794 Mg\n0.355007 0.144993 0.878206 Mg\n0.355007 0.710015 0.371794 Mg\n0.355007 0.710015 0.878206 Mg\n0.789985 0.144993 0.371794 Mg\n0.789985 0.144993 0.878206 Mg\n0.833333 0.666667 0.374883 Mg\n0.833333 0.666667 0.875117 Mg\n","nsites":16,"nelements":3,"elements":["Cs","Rb","Mg"],"chemical_system":"Cs-Mg-Rb","density":2.037310253777709,"density_atomic":0.03513933182238252,"volume":455.33022884085017,"volume_molar":17.13789206476632,"formula_full":"Cs1 Rb1 Mg14","formula_reduced":"CsRbMg14","formula_anonymous":"ABC14","energy":-20.02659671,"energy_per_atom":-1.251662294375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.02659671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.74e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.250000Z","spacegroup":187},{"id":"mp-1186872","created_at":"2022-09-04T14:44:18.371135Z","structure_string":"Rb3 Tb1\n1.0\n0.000000 5.134150 5.134150\n5.134150 0.000000 5.134150\n5.134150 5.134150 0.000000\nRb Tb\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 Tb\n","nsites":4,"nelements":2,"elements":["Rb","Tb"],"chemical_system":"Rb-Tb","density":2.548035286432636,"density_atomic":0.01477829518100736,"volume":270.66721506149673,"volume_molar":40.749901705438134,"formula_full":"Rb3 Tb1","formula_reduced":"Rb3Tb","formula_anonymous":"AB3","energy":-5.00707792,"energy_per_atom":-1.25176948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00707792,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3546405,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.832000Z","spacegroup":225},{"id":"mp-1097474","created_at":"2022-09-04T14:48:09.542143Z","structure_string":"Na1 Cd2 Pd1\n1.0\n-5.672306 6.303934 8.884941\n5.672306 -6.303934 8.884941\n5.672306 6.303934 -8.884941\nNa Cd Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.269339 0.269339 Cd\n0.000000 0.730661 0.730661 Cd\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Na","Cd","Pd"],"chemical_system":"Cd-Na-Pd","density":0.4628611789633185,"density_atomic":0.0031475609075781496,"volume":1270.8252889942482,"volume_molar":191.32721929227606,"formula_full":"Na1 Cd2 Pd1","formula_reduced":"NaCd2Pd","formula_anonymous":"ABC2","energy":-5.00708211,"energy_per_atom":-1.2517705275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00708211,"band_gap":0.3178999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017015,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.735000Z","spacegroup":71},{"id":"mp-1095928","created_at":"2022-09-04T14:41:01.374314Z","structure_string":"In2 Ga1 Hg1\n1.0\n-5.766367 6.009294 8.509610\n5.766367 -6.009294 8.509610\n5.766367 6.009294 -8.509610\nIn Ga Hg\n2 1 1\ndirect\n0.000000 0.236442 0.236442 In\n0.000000 0.763558 0.763558 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["In","Ga","Hg"],"chemical_system":"Ga-Hg-In","density":0.70384887689947,"density_atomic":0.003391287520864182,"volume":1179.4930318915287,"volume_molar":177.5768265872489,"formula_full":"In2 Ga1 Hg1","formula_reduced":"In2GaHg","formula_anonymous":"ABC2","energy":-5.01049337,"energy_per_atom":-1.2526233425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.01049337,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999137,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.055000Z","spacegroup":71},{"id":"mp-973778","created_at":"2022-09-04T14:46:10.165334Z","structure_string":"Hg3 F1\n1.0\n0.000000 3.512298 3.512298\n3.512298 0.000000 3.512298\n3.512298 3.512298 0.000000\nHg F\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Hg","F"],"chemical_system":"F-Hg","density":11.895279090798535,"density_atomic":0.04615895056498207,"volume":86.65708277680281,"volume_molar":13.046528758321953,"formula_full":"Hg3 F1","formula_reduced":"Hg3F","formula_anonymous":"AB3","energy":-5.01241584,"energy_per_atom":-1.25310396,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.55041584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.68e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.722000Z","spacegroup":225},{"id":"mp-975057","created_at":"2022-09-04T14:41:52.479792Z","structure_string":"Rb3 Dy1\n1.0\n6.394361 0.000000 0.000000\n0.000000 6.394361 0.000000\n0.000000 0.000000 6.394361\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n","nsites":4,"nelements":2,"elements":["Rb","Dy"],"chemical_system":"Dy-Rb","density":2.6605506384596986,"density_atomic":0.015299193512823345,"volume":261.45169002845245,"volume_molar":39.362471982280724,"formula_full":"Rb3 Dy1","formula_reduced":"Rb3Dy","formula_anonymous":"AB3","energy":-5.01311319,"energy_per_atom":-1.2532782975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.01311319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3364318,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.916000Z","spacegroup":221},{"id":"mp-1039443","created_at":"2022-09-04T14:48:22.839849Z","structure_string":"Mg3 Cd3\n1.0\n1.561932 -2.705345 0.000000\n1.561932 2.705345 0.000000\n0.000000 0.000000 16.093345\nMg Cd\n3 3\ndirect\n0.666667 0.333333 0.667887 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.332113 Mg\n0.666667 0.333333 0.000000 Cd\n0.000000 0.000000 0.831977 Cd\n0.000000 0.000000 0.168023 Cd\n","nsites":6,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":5.007588106881167,"density_atomic":0.04411539316270476,"volume":136.00694836541572,"volume_molar":13.65088312324309,"formula_full":"Mg3 Cd3","formula_reduced":"MgCd","formula_anonymous":"AB","energy":-7.52059079,"energy_per_atom":-1.2534317983333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.52059079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001812,"is_theoretical":true,"updated_at":"2021-11-28T01:39:11.113000Z","spacegroup":187},{"id":"mp-1186031","created_at":"2022-09-04T14:41:55.649478Z","structure_string":"Na3 Cd1\n1.0\n-2.423068 2.423068 5.182185\n2.423068 -2.423068 5.182185\n2.423068 2.423068 -5.182185\nNa Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":2,"elements":["Na","Cd"],"chemical_system":"Cd-Na","density":2.4747716002241686,"density_atomic":0.03286668350722476,"volume":121.70379159554443,"volume_molar":18.322934100351837,"formula_full":"Na3 Cd1","formula_reduced":"Na3Cd","formula_anonymous":"AB3","energy":-5.01409102,"energy_per_atom":-1.253522755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.01409102,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017304,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.805000Z","spacegroup":139},{"id":"mp-1022659","created_at":"2022-09-04T14:42:57.063922Z","structure_string":"Rb2 Mg12 Zn2\n1.0\n5.217537 0.000000 0.000000\n0.000000 7.041058 0.000000\n0.000000 0.000000 11.736735\nRb Mg Zn\n2 12 2\ndirect\n0.500000 0.000000 0.669903 Rb\n0.500000 0.500000 0.169903 Rb\n0.000000 0.718694 0.569225 Mg\n0.000000 0.281306 0.569225 Mg\n0.000000 0.000000 0.334381 Mg\n0.500000 0.741012 0.417485 Mg\n0.500000 0.258988 0.417485 Mg\n0.500000 0.000000 0.162948 Mg\n0.000000 0.218694 0.069225 Mg\n0.000000 0.781306 0.069225 Mg\n0.000000 0.500000 0.834381 Mg\n0.500000 0.241012 0.917485 Mg\n0.500000 0.758988 0.917485 Mg\n0.500000 0.500000 0.662948 Mg\n0.000000 0.000000 0.859348 Zn\n0.000000 0.500000 0.359348 Zn\n","nsites":16,"nelements":3,"elements":["Rb","Mg","Zn"],"chemical_system":"Mg-Rb-Zn","density":2.2853663821978967,"density_atomic":0.03710814324855062,"volume":431.17220640310353,"volume_molar":16.22862324224539,"formula_full":"Rb2 Mg12 Zn2","formula_reduced":"RbMg6Zn","formula_anonymous":"ABC6","energy":-20.05818778,"energy_per_atom":-1.25363673625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.05818778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028509,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.104000Z","spacegroup":38}]}