{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=83","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=81","results":[{"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-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-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-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-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-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-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-1169","created_at":"2022-09-04T14:48:28.999592Z","structure_string":"Sc1 Cu1\n1.0\n3.255379 0.000000 0.000000\n0.000000 3.255379 0.000000\n0.000000 0.000000 3.255379\nSc Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cu\n","nsites":2,"nelements":2,"elements":["Sc","Cu"],"chemical_system":"Cu-Sc","density":5.222540493654108,"density_atomic":0.05797293966295023,"volume":34.498854321133805,"volume_molar":10.387847839030101,"formula_full":"Sc1 Cu1","formula_reduced":"ScCu","formula_anonymous":"AB","energy":-10.99326633,"energy_per_atom":-5.496633165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.99326633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015108,"is_theoretical":false,"updated_at":"2021-11-28T01:39:40.914000Z","spacegroup":221},{"id":"mp-1186429","created_at":"2022-09-04T14:41:33.995780Z","structure_string":"Pm1\n1.0\n0.000000 2.584081 2.584081\n2.584081 0.000000 2.584081\n2.584081 2.584081 0.000000\nPm\n1\ndirect\n0.000000 0.000000 0.000000 Pm\n","nsites":1,"nelements":1,"elements":["Pm"],"chemical_system":"Pm","density":6.977000201890157,"density_atomic":0.028976880905414445,"volume":34.5102705589388,"volume_molar":20.782570697161333,"formula_full":"Pm1","formula_reduced":"Pm","formula_anonymous":"A","energy":-4.74098422,"energy_per_atom":-4.74098422,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.74098422,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033695,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.603000Z","spacegroup":225},{"id":"mp-849078","created_at":"2022-09-04T14:41:49.122411Z","structure_string":"Ni2 S1\n1.0\n-1.431868 1.431868 4.208241\n1.431868 -1.431868 4.208241\n1.431868 1.431868 -4.208241\nNi S\n2 1\ndirect\n0.151444 0.151444 0.000000 Ni\n0.848556 0.848556 0.000000 Ni\n0.500000 0.500000 0.000000 S\n","nsites":3,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":7.1909072327492565,"density_atomic":0.08692700033592758,"volume":34.51171659445929,"volume_molar":6.927813840035389,"formula_full":"Ni2 S1","formula_reduced":"Ni2S","formula_anonymous":"AB2","energy":-15.99471755,"energy_per_atom":-5.331572516666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.49171755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0139678,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.545000Z","spacegroup":139},{"id":"mp-1245817","created_at":"2022-09-04T14:44:09.552742Z","structure_string":"Li1 Fe1 N1\n1.0\n3.100611 0.000000 0.000000\n-1.550306 2.685183 0.000000\n0.000000 0.000000 4.145339\nLi Fe N\n1 1 1\ndirect\n0.666693 0.333387 0.000000 Li\n0.000021 0.000041 0.500000 Fe\n0.666686 0.333371 0.500000 N\n","nsites":3,"nelements":3,"elements":["Li","Fe","N"],"chemical_system":"Fe-Li-N","density":3.6947734158265386,"density_atomic":0.08692406541547325,"volume":34.51288185453385,"volume_molar":6.928047752041756,"formula_full":"Li1 Fe1 N1","formula_reduced":"LiFeN","formula_anonymous":"ABC","energy":-19.52020592,"energy_per_atom":-6.506735306666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.15920592,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.255488,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.849000Z","spacegroup":187},{"id":"mp-1276359","created_at":"2022-09-04T14:42:38.856641Z","structure_string":"Co1 H1 O2\n1.0\n2.696988 0.001965 3.800353\n1.042414 2.577097 3.924726\n-0.193627 0.115387 4.806877\nCo H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 H\n0.389705 0.418642 0.418005 O\n0.610295 0.581358 0.581995 O\n","nsites":4,"nelements":3,"elements":["Co","H","O"],"chemical_system":"Co-H-O","density":4.421306737319198,"density_atomic":0.11583967956676865,"volume":34.530482257544975,"volume_molar":5.198685616640461,"formula_full":"Co1 H1 O2","formula_reduced":"CoHO2","formula_anonymous":"ABC2","energy":-25.21513887,"energy_per_atom":-6.3037847175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.20313887,"band_gap":0.2849999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999572,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.408000Z","spacegroup":12}]}