{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12176","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12174","results":[{"id":"mp-607540","created_at":"2022-09-04T14:46:58.045403Z","structure_string":"O2\n1.0\n0.000000 1.889885 3.898837\n1.501773 0.000000 3.898837\n1.501773 1.889885 0.000000\nO\n2\ndirect\n0.421098 0.421098 0.578902 O\n0.578902 0.578902 0.421098 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.4009219653451197,"density_atomic":0.09037020159556464,"volume":22.13118887297204,"volume_molar":6.6638567289591695,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy":-9.64872816,"energy_per_atom":-4.82436408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.64872816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010728,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.451000Z","spacegroup":69},{"id":"mp-1009459","created_at":"2022-09-04T14:45:25.635395Z","structure_string":"Nb1 C1\n1.0\n2.806433 0.000000 0.000000\n0.000000 2.806433 0.000000\n0.000000 0.000000 2.806433\nNb C\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Nb","C"],"chemical_system":"C-Nb","density":7.881906108501415,"density_atomic":0.09048278518407597,"volume":22.10365204752759,"volume_molar":6.655565197013667,"formula_full":"Nb1 C1","formula_reduced":"NbC","formula_anonymous":"AB","energy":-18.41065715,"energy_per_atom":-9.205328575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.41065715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003051,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.368000Z","spacegroup":221},{"id":"mp-1580","created_at":"2022-09-04T14:46:04.605147Z","structure_string":"Nb1 N1\n1.0\n0.000000 2.226234 2.226234\n2.226234 0.000000 2.226234\n2.226234 2.226234 0.000000\nNb N\n1 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Nb","N"],"chemical_system":"N-Nb","density":8.045212307020082,"density_atomic":0.09063325268283796,"volume":22.066956010050756,"volume_molar":6.644515761862682,"formula_full":"Nb1 N1","formula_reduced":"NbN","formula_anonymous":"AB","energy":-20.52301681,"energy_per_atom":-10.261508405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.16201681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001406,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.335000Z","spacegroup":225},{"id":"mp-1185851","created_at":"2022-09-04T14:40:59.988739Z","structure_string":"Mg1 C1\n1.0\n2.803969 0.000000 0.000000\n0.000000 2.803969 0.000000\n0.000000 0.000000 2.803969\nMg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Mg","C"],"chemical_system":"C-Mg","density":2.73541921714692,"density_atomic":0.09072153128790303,"volume":22.045483267395902,"volume_molar":6.638050167924142,"formula_full":"Mg1 C1","formula_reduced":"MgC","formula_anonymous":"AB","energy":-8.35655274,"energy_per_atom":-4.17827637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.35655274,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002688,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.631000Z","spacegroup":221},{"id":"mp-19091","created_at":"2022-09-04T14:46:26.599489Z","structure_string":"Cr1 O1\n1.0\n0.000000 2.225498 2.225498\n2.225498 0.000000 2.225498\n2.225498 2.225498 0.000000\nCr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":5.121741419025951,"density_atomic":0.0907232030718368,"volume":22.045077028600414,"volume_molar":6.637927846563712,"formula_full":"Cr1 O1","formula_reduced":"CrO","formula_anonymous":"AB","energy":-17.81026394,"energy_per_atom":-8.90513197,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.12426394,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0025575,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.531000Z","spacegroup":225},{"id":"mp-1006883","created_at":"2022-09-04T14:44:10.415275Z","structure_string":"Co1 Ni1\n1.0\n2.802193 0.000000 0.000000\n0.000000 2.802193 0.000000\n0.000000 0.000000 2.802193\nCo Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n","nsites":2,"nelements":2,"elements":["Co","Ni"],"chemical_system":"Co-Ni","density":8.876882909537516,"density_atomic":0.09089413564976041,"volume":22.00361976823828,"volume_molar":6.625444773692475,"formula_full":"Co1 Ni1","formula_reduced":"CoNi","formula_anonymous":"AB","energy":-12.58368363,"energy_per_atom":-6.291841815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.58368363,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3086642,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.313000Z","spacegroup":221},{"id":"mp-1459","created_at":"2022-09-04T14:42:08.003192Z","structure_string":"Ta1 N1\n1.0\n1.477020 -2.558274 0.000000\n1.477020 2.558274 0.000000\n0.000000 0.000000 2.901479\nTa N\n1 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":14.763851879979619,"density_atomic":0.09121098279584229,"volume":21.927183971656174,"volume_molar":6.6024294173864675,"formula_full":"Ta1 N1","formula_reduced":"TaN","formula_anonymous":"AB","energy":-22.84421637,"energy_per_atom":-11.422108185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.48321637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.12e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.638000Z","spacegroup":187},{"id":"mp-1009548","created_at":"2022-09-04T14:40:58.383518Z","structure_string":"Pd1 N1\n1.0\n0.000000 2.221293 2.221293\n2.221293 0.000000 2.221293\n2.221293 2.221293 0.000000\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Pd","N"],"chemical_system":"N-Pd","density":9.12271995944708,"density_atomic":0.09123940742183803,"volume":21.920352800552084,"volume_molar":6.600372503689243,"formula_full":"Pd1 N1","formula_reduced":"PdN","formula_anonymous":"AB","energy":-11.61151839,"energy_per_atom":-5.805759195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.25051839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009757,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.303000Z","spacegroup":225},{"id":"mp-1183252","created_at":"2022-09-04T14:42:59.287713Z","structure_string":"B1 Ir1\n1.0\n1.525180 -2.641689 0.000000\n1.525180 2.641689 0.000000\n0.000000 0.000000 2.719451\nB Ir\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Ir\n","nsites":2,"nelements":2,"elements":["B","Ir"],"chemical_system":"B-Ir","density":15.38477010210741,"density_atomic":0.09126746177586144,"volume":21.913614787619338,"volume_molar":6.598343640573058,"formula_full":"B1 Ir1","formula_reduced":"BIr","formula_anonymous":"AB","energy":-15.91883799,"energy_per_atom":-7.959418995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.91883799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002282,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.177000Z","spacegroup":187},{"id":"mp-1009835","created_at":"2022-09-04T14:39:35.021486Z","structure_string":"Ta1 C1\n1.0\n2.797247 0.000000 0.000000\n0.000000 2.797247 0.000000\n0.000000 0.000000 2.797247\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Ta","C"],"chemical_system":"C-Ta","density":14.639314524965723,"density_atomic":0.09137713671993476,"volume":21.88731308281059,"volume_molar":6.590424012143745,"formula_full":"Ta1 C1","formula_reduced":"TaC","formula_anonymous":"AB","energy":-20.17197332,"energy_per_atom":-10.08598666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.17197332,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000438,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.658000Z","spacegroup":221},{"id":"mp-1009533","created_at":"2022-09-04T14:43:03.351596Z","structure_string":"Pd1 C1\n1.0\n0.000000 2.220000 2.220000\n2.220000 0.000000 2.220000\n2.220000 2.220000 0.000000\nPd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Pd","C"],"chemical_system":"C-Pd","density":8.98720141044919,"density_atomic":0.09139892266261877,"volume":21.882096000000004,"volume_molar":6.588853111791649,"formula_full":"Pd1 C1","formula_reduced":"PdC","formula_anonymous":"AB","energy":-11.43402039,"energy_per_atom":-5.717010195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.43402039,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001308,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.173000Z","spacegroup":225},{"id":"mp-1001826","created_at":"2022-09-04T14:40:59.966546Z","structure_string":"V1 N1\n1.0\n0.000000 2.219563 2.219563\n2.219563 0.000000 2.219563\n2.219563 2.219563 0.000000\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 N\n","nsites":2,"nelements":2,"elements":["V","N"],"chemical_system":"N-V","density":4.931553984051704,"density_atomic":0.09145291868831261,"volume":21.869176278740174,"volume_molar":6.584962892791316,"formula_full":"V1 N1","formula_reduced":"VN","formula_anonymous":"AB","energy":-19.45393859,"energy_per_atom":-9.726969295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.09293859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6246305,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.456000Z","spacegroup":216}]}