{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=109","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=107","results":[{"id":"mp-1038779","created_at":"2022-09-04T14:40:25.794895Z","structure_string":"Mg1 Al1\n1.0\n5.078565 -1.494710 0.000000\n5.078565 1.494710 0.000000\n4.638646 0.000000 2.551263\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n","nsites":2,"nelements":2,"elements":["Mg","Al"],"chemical_system":"Al-Mg","density":2.198716849891578,"density_atomic":0.05163531299812335,"volume":38.73318246512205,"volume_molar":11.662833844386439,"formula_full":"Mg1 Al1","formula_reduced":"MgAl","formula_anonymous":"AB","energy":-5.245756,"energy_per_atom":-2.622878,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.245756,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005623,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.499000Z","spacegroup":166},{"id":"mp-603640","created_at":"2022-09-04T14:40:36.319029Z","structure_string":"Ga1 As1\n1.0\n-1.484833 2.478050 2.631704\n1.484833 -2.478050 2.631704\n1.484833 2.478050 -2.631704\nGa As\n1 1\ndirect\n0.500000 0.602063 0.102063 Ga\n0.000000 0.952416 0.952416 As\n","nsites":2,"nelements":2,"elements":["Ga","As"],"chemical_system":"As-Ga","density":6.201069721947961,"density_atomic":0.05163513154455801,"volume":38.733318579311074,"volume_molar":11.662874829326727,"formula_full":"Ga1 As1","formula_reduced":"GaAs","formula_anonymous":"AB","energy":-7.69602418,"energy_per_atom":-3.84801209,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.69602418,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007135,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.122000Z","spacegroup":44},{"id":"mp-1029367","created_at":"2022-09-04T14:43:14.218812Z","structure_string":"Mn1 Co1 N2\n1.0\n4.978242 -1.510716 0.000000\n4.978242 1.510716 0.000000\n4.519794 0.000000 2.576162\nMn Co N\n1 1 2\ndirect\n0.814111 0.814111 0.814111 Mn\n0.308944 0.308944 0.308944 Co\n0.934038 0.934038 0.934038 N\n0.438403 0.438403 0.438403 N\n","nsites":4,"nelements":3,"elements":["Mn","Co","N"],"chemical_system":"Co-Mn-N","density":6.080264627648645,"density_atomic":0.10322811393369405,"volume":38.74913381222191,"volume_molar":5.833818453631895,"formula_full":"Mn1 Co1 N2","formula_reduced":"MnCoN2","formula_anonymous":"ABC2","energy":-34.27124456,"energy_per_atom":-8.56781114,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.54924456,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001528,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.534000Z","spacegroup":160},{"id":"mp-1217971","created_at":"2022-09-04T14:39:27.523167Z","structure_string":"Ta2 H1\n1.0\n1.632974 2.435762 0.000000\n-1.632974 2.435762 0.000000\n0.000000 0.593009 4.871820\nTa H\n2 1\ndirect\n0.234648 0.234648 0.736964 Ta\n0.765352 0.765352 0.263036 Ta\n0.500000 0.500000 0.000000 H\n","nsites":3,"nelements":2,"elements":["Ta","H"],"chemical_system":"H-Ta","density":15.549095935497306,"density_atomic":0.07740801026277899,"volume":38.75567902877004,"volume_molar":7.779738478687776,"formula_full":"Ta2 H1","formula_reduced":"Ta2H","formula_anonymous":"AB2","energy":-27.546164500000003,"energy_per_atom":-9.182054833333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.3671645,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002496,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.228000Z","spacegroup":12},{"id":"mp-998864","created_at":"2022-09-04T14:44:20.031647Z","structure_string":"Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n","nsites":1,"nelements":1,"elements":["Br"],"chemical_system":"Br","density":3.423121443241446,"density_atomic":0.025799107900603573,"volume":38.76103018184613,"volume_molar":23.342437975768583,"formula_full":"Br1","formula_reduced":"Br","formula_anonymous":"A","energy":-1.55302833,"energy_per_atom":-1.55302833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.55302833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.553000Z","spacegroup":71},{"id":"mp-18921","created_at":"2022-09-04T14:45:12.997103Z","structure_string":"Na1 Co1 O2\n1.0\n5.317074 -1.459936 0.000000\n5.317074 1.459936 0.000000\n4.916212 0.000000 2.496707\nNa Co O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Co\n0.229921 0.229921 0.229921 O\n0.770079 0.770079 0.770079 O\n","nsites":4,"nelements":3,"elements":["Na","Co","O"],"chemical_system":"Co-Na-O","density":4.8803582437020205,"density_atomic":0.10319434393842615,"volume":38.76181433341651,"volume_molar":5.835727550720495,"formula_full":"Na1 Co1 O2","formula_reduced":"NaCoO2","formula_anonymous":"ABC2","energy":-24.60095337,"energy_per_atom":-6.1502383425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.58895337,"band_gap":0.5118999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.85e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.579000Z","spacegroup":166},{"id":"mp-1008733","created_at":"2022-09-04T14:47:24.181157Z","structure_string":"Ge2\n1.0\n1.495562 -2.590389 0.000000\n1.495562 2.590389 0.000000\n0.000000 0.000000 5.003386\nGe\n2\ndirect\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n","nsites":2,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.222881270134663,"density_atomic":0.051590125212650204,"volume":38.7671088557387,"volume_molar":11.67304931937505,"formula_full":"Ge2","formula_reduced":"Ge","formula_anonymous":"A","energy":-8.58374841,"energy_per_atom":-4.291874205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.58374841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016113,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.048000Z","spacegroup":194},{"id":"mp-10141","created_at":"2022-09-04T14:39:16.874104Z","structure_string":"Sm1 B2\n1.0\n1.667072 -2.887454 0.000000\n1.667072 2.887454 0.000000\n0.000000 0.000000 4.030790\nSm B\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n","nsites":3,"nelements":2,"elements":["Sm","B"],"chemical_system":"B-Sm","density":7.359401433589032,"density_atomic":0.07730928473514918,"volume":38.805170818454485,"volume_molar":7.7896733628192445,"formula_full":"Sm1 B2","formula_reduced":"SmB2","formula_anonymous":"AB2","energy":-19.2472011,"energy_per_atom":-6.4157337000000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.2472011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013874,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.151000Z","spacegroup":191},{"id":"mp-754912","created_at":"2022-09-04T14:46:03.242557Z","structure_string":"Li1 Cu1 O2\n1.0\n1.484231 -2.570763 0.000000\n1.484231 2.570763 0.000000\n0.000000 0.000000 5.090450\nLi Cu O\n1 1 2\ndirect\n0.000000 0.000000 0.596475 Li\n0.333333 0.666667 0.027457 Cu\n0.666667 0.333333 0.799763 O\n0.000000 0.000000 0.225305 O\n","nsites":4,"nelements":3,"elements":["Li","Cu","O"],"chemical_system":"Cu-Li-O","density":4.380897403701494,"density_atomic":0.10296989760269668,"volume":38.84630453293997,"volume_molar":5.848447847579764,"formula_full":"Li1 Cu1 O2","formula_reduced":"LiCuO2","formula_anonymous":"ABC2","energy":-21.27833877,"energy_per_atom":-5.3195846925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.90433877,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9996067,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.107000Z","spacegroup":156},{"id":"mp-1225685","created_at":"2022-09-04T14:40:26.421221Z","structure_string":"Cu1 Ni1 Pd1\n1.0\n1.329594 -2.302925 0.000000\n1.329594 2.302925 0.000000\n0.000000 0.000000 6.352823\nCu Ni Pd\n1 1 1\ndirect\n0.000000 0.000000 0.012732 Cu\n0.666667 0.333333 0.322274 Ni\n0.333333 0.666667 0.664993 Pd\n","nsites":3,"nelements":3,"elements":["Cu","Ni","Pd"],"chemical_system":"Cu-Ni-Pd","density":9.759837010367914,"density_atomic":0.0771126561489332,"volume":38.90411963252679,"volume_molar":7.809536152365194,"formula_full":"Cu1 Ni1 Pd1","formula_reduced":"CuNiPd","formula_anonymous":"ABC","energy":-14.94954486,"energy_per_atom":-4.98318162,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.94954486,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5669049,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.194000Z","spacegroup":156},{"id":"mp-29719","created_at":"2022-09-04T14:40:16.240935Z","structure_string":"Li1 Ni1 N1\n1.0\n1.812080 -3.138614 0.000000\n1.812080 3.138614 0.000000\n0.000000 0.000000 3.420368\nLi Ni N\n1 1 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.000000 Ni\n0.666667 0.333333 0.500000 N\n","nsites":3,"nelements":3,"elements":["Li","Ni","N"],"chemical_system":"Li-N-Ni","density":3.399133661394882,"density_atomic":0.07710865888861973,"volume":38.90613639556844,"volume_molar":7.809940993395738,"formula_full":"Li1 Ni1 N1","formula_reduced":"LiNiN","formula_anonymous":"ABC","energy":-16.57058025,"energy_per_atom":-5.523526749999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.20958025,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005235,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.529000Z","spacegroup":187},{"id":"mp-1185862","created_at":"2022-09-04T14:42:24.206467Z","structure_string":"Mg1 F3\n1.0\n-1.571154 1.571154 3.941349\n1.571154 -1.571154 3.941349\n1.571154 1.571154 -3.941349\nMg F\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 F\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n","nsites":4,"nelements":2,"elements":["Mg","F"],"chemical_system":"F-Mg","density":3.468952617991746,"density_atomic":0.10278212597639416,"volume":38.91727245375986,"volume_molar":5.859132317795312,"formula_full":"Mg1 F3","formula_reduced":"MgF3","formula_anonymous":"AB3","energy":-16.88299155,"energy_per_atom":-4.2207478875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.49699155,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.613000Z","spacegroup":139}]}