{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12114","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12112","results":[{"id":"mp-1017514","created_at":"2022-09-04T14:40:25.173746Z","structure_string":"Mg1 Si1 N2\n1.0\n4.965017 -1.425763 0.000000\n4.965017 1.425763 0.000000\n4.555593 0.000000 2.435317\nMg Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.763337 0.763337 0.763337 N\n0.236663 0.236663 0.236663 N\n","nsites":4,"nelements":3,"elements":["Mg","Si","N"],"chemical_system":"Mg-N-Si","density":3.8723324553577414,"density_atomic":0.11601293531154351,"volume":34.47891383196467,"volume_molar":5.190921808700056,"formula_full":"Mg1 Si1 N2","formula_reduced":"MgSiN2","formula_anonymous":"ABC2","energy":-27.98566892,"energy_per_atom":-6.99641723,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.26366892,"band_gap":4.1797,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.619000Z","spacegroup":166},{"id":"mp-580","created_at":"2022-09-04T14:45:30.246910Z","structure_string":"Pu1 B2\n1.0\n1.578685 -2.734363 0.000000\n1.578685 2.734363 0.000000\n0.000000 0.000000 3.991029\nPu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n","nsites":3,"nelements":2,"elements":["Pu","B"],"chemical_system":"B-Pu","density":12.801079932728388,"density_atomic":0.08706722928997859,"volume":34.45613262836766,"volume_molar":6.916656024441961,"formula_full":"Pu1 B2","formula_reduced":"PuB2","formula_anonymous":"AB2","energy":-28.830621630000003,"energy_per_atom":-9.61020721,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.830621630000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0091452,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.556000Z","spacegroup":191},{"id":"mp-1094003","created_at":"2022-09-04T14:41:21.705608Z","structure_string":"Zn1 O2\n1.0\n1.567383 -2.714788 0.000000\n1.567383 2.714788 0.000000\n0.000000 0.000000 4.048627\nZn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.767990 O\n0.333333 0.666667 0.232010 O\n","nsites":3,"nelements":2,"elements":["Zn","O"],"chemical_system":"O-Zn","density":4.69455051478437,"density_atomic":0.08707078082473439,"volume":34.45472719532318,"volume_molar":6.916373900587874,"formula_full":"Zn1 O2","formula_reduced":"ZnO2","formula_anonymous":"AB2","energy":-13.3598964,"energy_per_atom":-4.4532988,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.9858964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9994229,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.721000Z","spacegroup":164},{"id":"mp-2599","created_at":"2022-09-04T14:40:09.747573Z","structure_string":"Nd1 N1\n1.0\n0.000000 2.582619 2.582619\n2.582619 0.000000 2.582619\n2.582619 2.582619 0.000000\nNd N\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Nd","N"],"chemical_system":"N-Nd","density":7.627429945917087,"density_atomic":0.05805223902278567,"volume":34.45172888534057,"volume_molar":10.373658038643942,"formula_full":"Nd1 N1","formula_reduced":"NdN","formula_anonymous":"AB","energy":-16.17461929,"energy_per_atom":-8.087309645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.81361929,"band_gap":0.3571,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003984,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.865000Z","spacegroup":225},{"id":"mp-1186175","created_at":"2022-09-04T14:43:16.946986Z","structure_string":"Na1 Pt1\n1.0\n2.850973 0.000039 -0.000047\n-1.425452 2.469026 0.000046\n-0.000075 0.000042 4.889832\nNa Pt\n1 1\ndirect\n0.666668 0.333333 0.750002 Na\n0.333333 0.666664 0.250001 Pt\n","nsites":2,"nelements":2,"elements":["Na","Pt"],"chemical_system":"Na-Pt","density":10.520500271782891,"density_atomic":0.05810504741892385,"volume":34.420417654605224,"volume_molar":10.364230006701087,"formula_full":"Na1 Pt1","formula_reduced":"NaPt","formula_anonymous":"AB","energy":-7.73463402,"energy_per_atom":-3.86731701,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.73463402,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006434,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.605000Z","spacegroup":187},{"id":"mp-1224697","created_at":"2022-09-04T14:45:06.454755Z","structure_string":"Fe2 Ni1\n1.0\n1.258843 -2.180381 0.000000\n1.258843 2.180381 0.000000\n0.000000 0.000000 6.266583\nFe Ni\n2 1\ndirect\n0.333333 0.666667 0.671481 Fe\n0.666667 0.333333 0.328519 Fe\n0.000000 0.000000 0.000000 Ni\n","nsites":3,"nelements":2,"elements":["Fe","Ni"],"chemical_system":"Fe-Ni","density":8.224540201109791,"density_atomic":0.08720803574962964,"volume":34.40049961236216,"volume_molar":6.905488362665679,"formula_full":"Fe2 Ni1","formula_reduced":"Fe2Ni","formula_anonymous":"AB2","energy":-22.58663735,"energy_per_atom":-7.528879116666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.58663735,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6758261,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.594000Z","spacegroup":164},{"id":"mp-24152","created_at":"2022-09-04T14:42:43.585928Z","structure_string":"Ho1 H2\n1.0\n0.000000 2.580550 2.580550\n2.580550 0.000000 2.580550\n2.580550 2.580550 0.000000\nHo H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n","nsites":3,"nelements":2,"elements":["Ho","H"],"chemical_system":"H-Ho","density":8.066010912136269,"density_atomic":0.08728797618879668,"volume":34.368994803032756,"volume_molar":6.899164149452391,"formula_full":"Ho1 H2","formula_reduced":"HoH2","formula_anonymous":"AB2","energy":-13.78782873,"energy_per_atom":-4.59594291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.42982873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046258,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.375000Z","spacegroup":225},{"id":"mp-2765","created_at":"2022-09-04T14:48:00.878817Z","structure_string":"Pu1 B1\n1.0\n0.000000 2.580543 2.580543\n2.580543 0.000000 2.580543\n2.580543 2.580543 0.000000\nPu B\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 B\n","nsites":2,"nelements":2,"elements":["Pu","B"],"chemical_system":"B-Pu","density":12.311301678691695,"density_atomic":0.058192457683166755,"volume":34.36871511578273,"volume_molar":10.348662008379165,"formula_full":"Pu1 B1","formula_reduced":"PuB","formula_anonymous":"AB","energy":-19.94322338,"energy_per_atom":-9.97161169,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.94322338,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0944544,"is_theoretical":false,"updated_at":"2021-11-28T01:38:24.339000Z","spacegroup":225},{"id":"mp-1206743","created_at":"2022-09-04T14:43:13.668707Z","structure_string":"Hf1 S1\n1.0\n1.696749 -2.938855 0.000000\n1.696749 2.938855 0.000000\n0.000000 0.000000 3.445095\nHf S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.500000 S\n","nsites":2,"nelements":2,"elements":["Hf","S"],"chemical_system":"Hf-S","density":10.176248356772211,"density_atomic":0.05821072882085818,"volume":34.35792749056521,"volume_molar":10.345413778502865,"formula_full":"Hf1 S1","formula_reduced":"HfS","formula_anonymous":"AB","energy":-17.61019457,"energy_per_atom":-8.805097285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.10719457,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.49e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.264000Z","spacegroup":187},{"id":"mp-19419","created_at":"2022-09-04T14:48:09.330495Z","structure_string":"Li1 Fe1 O2\n1.0\n4.842287 -1.441680 0.000000\n4.842287 1.441680 0.000000\n4.413060 0.000000 2.459897\nLi Fe O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Fe\n0.240420 0.240420 0.240420 O\n0.759580 0.759580 0.759580 O\n","nsites":4,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.58270052067974,"density_atomic":0.11646452851510306,"volume":34.34522125319283,"volume_molar":5.1707939205017714,"formula_full":"Li1 Fe1 O2","formula_reduced":"LiFeO2","formula_anonymous":"ABC2","energy":-27.75501577,"energy_per_atom":-6.9387539425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.12501577,"band_gap":1.6720000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.999999,"is_theoretical":false,"updated_at":"2021-11-28T01:38:33.793000Z","spacegroup":166},{"id":"mp-1219670","created_at":"2022-09-04T14:40:59.054933Z","structure_string":"Pu1 Ga1\n1.0\n-1.371798 -1.655000 1.655000\n-1.371798 1.655000 -1.655000\n0.000000 -3.777668 -3.777668\nPu Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n","nsites":2,"nelements":2,"elements":["Pu","Ga"],"chemical_system":"Ga-Pu","density":15.185304840561537,"density_atomic":0.05829859032648127,"volume":34.30614683476368,"volume_molar":10.329822258608766,"formula_full":"Pu1 Ga1","formula_reduced":"PuGa","formula_anonymous":"AB","energy":-17.17594345,"energy_per_atom":-8.587971725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.17594345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1900466,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.504000Z","spacegroup":65},{"id":"mp-1217811","created_at":"2022-09-04T14:39:35.499011Z","structure_string":"Ta1 W1\n1.0\n1.628874 -2.311410 0.000000\n1.628874 2.311410 0.000000\n0.000000 0.000000 4.555216\nTa W\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 W\n","nsites":2,"nelements":2,"elements":["Ta","W"],"chemical_system":"Ta-W","density":17.659810867661008,"density_atomic":0.05830778526785734,"volume":34.300736870939204,"volume_molar":10.328193280425891,"formula_full":"Ta1 W1","formula_reduced":"TaW","formula_anonymous":"AB","energy":-24.95097729,"energy_per_atom":-12.475488645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.95097729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.35e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.768000Z","spacegroup":65}]}