{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=volume&page=46","results":[{"id":"mp-1059160","created_at":"2022-09-04T14:41:33.689961Z","structure_string":"Br1 N1\n1.0\n3.047445 0.000000 0.000000\n0.000000 3.047445 0.000000\n0.000000 0.000000 3.047445\nBr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Br","N"],"chemical_system":"Br-N","density":5.510062771631311,"density_atomic":0.07066792946632623,"volume":28.30138105224965,"volume_molar":8.521745019952215,"formula_full":"Br1 N1","formula_reduced":"BrN","formula_anonymous":"AB","energy":-4.5996594,"energy_per_atom":-2.2998297,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2386594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009269,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.343000Z","spacegroup":221},{"id":"mp-345","created_at":"2022-09-04T14:47:25.960682Z","structure_string":"Hf1 B1\n1.0\n0.000000 2.418901 2.418901\n2.418901 0.000000 2.418901\n2.418901 2.418901 0.000000\nHf B\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 B\n","nsites":2,"nelements":2,"elements":["Hf","B"],"chemical_system":"B-Hf","density":11.104978646429897,"density_atomic":0.07065545831105587,"volume":28.30637643301577,"volume_molar":8.523249164258385,"formula_full":"Hf1 B1","formula_reduced":"HfB","formula_anonymous":"AB","energy":-17.46357609,"energy_per_atom":-8.731788045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.46357609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009076,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.621000Z","spacegroup":225},{"id":"mp-1009832","created_at":"2022-09-04T14:43:01.261499Z","structure_string":"Ta1 C1\n1.0\n0.000000 2.419287 2.419287\n2.419287 0.000000 2.419287\n2.419287 2.419287 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 C\n","nsites":2,"nelements":2,"elements":["Ta","C"],"chemical_system":"C-Ta","density":11.314126260265345,"density_atomic":0.07062164422984082,"volume":28.319929701592955,"volume_molar":8.527330148814878,"formula_full":"Ta1 C1","formula_reduced":"TaC","formula_anonymous":"AB","energy":-21.20051115,"energy_per_atom":-10.600255575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.20051115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006839,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.988000Z","spacegroup":216},{"id":"mp-2605","created_at":"2022-09-04T14:42:22.628916Z","structure_string":"Ca1 O1\n1.0\n0.000000 2.419633 2.419633\n2.419633 0.000000 2.419633\n2.419633 2.419633 0.000000\nCa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Ca","O"],"chemical_system":"Ca-O","density":3.2866879644895124,"density_atomic":0.0705913525348669,"volume":28.332082162785422,"volume_molar":8.530989340408953,"formula_full":"Ca1 O1","formula_reduced":"CaO","formula_anonymous":"AB","energy":-13.56559211,"energy_per_atom":-6.782796055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.87859211,"band_gap":3.630100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.46e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.494000Z","spacegroup":225},{"id":"mp-121","created_at":"2022-09-04T14:43:08.297363Z","structure_string":"Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n","nsites":1,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":11.755694544915189,"density_atomic":0.035293108981259515,"volume":28.334143090964176,"volume_molar":17.063219800776775,"formula_full":"Hg1","formula_reduced":"Hg","formula_anonymous":"A","energy":-0.27636913,"energy_per_atom":-0.27636913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.27636913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.66e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.748000Z","spacegroup":166},{"id":"mp-1008677","created_at":"2022-09-04T14:43:59.638921Z","structure_string":"Ti1 O2\n1.0\n0.000000 2.420000 2.420000\n2.420000 0.000000 2.420000\n2.420000 2.420000 0.000000\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n","nsites":3,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.678793200786703,"density_atomic":0.10583886188508328,"volume":28.344976,"volume_molar":5.689914510360725,"formula_full":"Ti1 O2","formula_reduced":"TiO2","formula_anonymous":"AB2","energy":-27.39060585,"energy_per_atom":-9.13020195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.01660585,"band_gap":1.0564999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.395000Z","spacegroup":225},{"id":"mp-1217363","created_at":"2022-09-04T14:46:17.305551Z","structure_string":"Tc1 Ru1\n1.0\n1.373753 -2.379410 0.000000\n1.373753 2.379410 0.000000\n0.000000 0.000000 4.348710\nTc Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.500000 Ru\n","nsites":2,"nelements":2,"elements":["Tc","Ru"],"chemical_system":"Ru-Tc","density":11.627504997883337,"density_atomic":0.07034959743713792,"volume":28.429444842056615,"volume_molar":8.560305928376046,"formula_full":"Tc1 Ru1","formula_reduced":"TcRu","formula_anonymous":"AB","energy":-19.75307939,"energy_per_atom":-9.876539695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.75307939,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.01e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.718000Z","spacegroup":187},{"id":"mp-1062345","created_at":"2022-09-04T14:43:13.996334Z","structure_string":"Li2 N1\n1.0\n0.000000 2.422472 2.422472\n2.422472 0.000000 2.422472\n2.422472 2.422472 0.000000\nLi N\n2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 N\n","nsites":3,"nelements":2,"elements":["Li","N"],"chemical_system":"Li-N","density":1.628812428235648,"density_atomic":0.10551518411968536,"volume":28.431926883595395,"volume_molar":5.707368859034654,"formula_full":"Li2 N1","formula_reduced":"Li2N","formula_anonymous":"AB2","energy":-12.76567624,"energy_per_atom":-4.255225413333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.40467624,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0041203,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.285000Z","spacegroup":225},{"id":"mp-10634","created_at":"2022-09-04T14:46:37.322708Z","structure_string":"Cu1 F1\n1.0\n0.000000 2.423314 2.423314\n2.423314 0.000000 2.423314\n2.423314 2.423314 0.000000\nCu F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 F\n","nsites":2,"nelements":2,"elements":["Cu","F"],"chemical_system":"Cu-F","density":4.81590221017716,"density_atomic":0.07027015734993998,"volume":28.461584197686562,"volume_molar":8.569983314553008,"formula_full":"Cu1 F1","formula_reduced":"CuF","formula_anonymous":"AB","energy":-8.04733481,"energy_per_atom":-4.023667405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.58533481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0210984,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.641000Z","spacegroup":216},{"id":"mp-1216229","created_at":"2022-09-04T14:40:58.322690Z","structure_string":"V1 Re1\n1.0\n-1.521970 -1.553706 1.553706\n-1.521970 1.553706 -1.553706\n0.000000 -3.009319 -3.009319\nV Re\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Re\n","nsites":2,"nelements":2,"elements":["V","Re"],"chemical_system":"Re-V","density":13.834591055750868,"density_atomic":0.07026302483343579,"volume":28.46447338043249,"volume_molar":8.570853267811875,"formula_full":"V1 Re1","formula_reduced":"VRe","formula_anonymous":"AB","energy":-22.05716005,"energy_per_atom":-11.028580025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.05716005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011032,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.421000Z","spacegroup":65},{"id":"mp-1187910","created_at":"2022-09-04T14:40:18.128725Z","structure_string":"Zn1 Os1\n1.0\n1.378981 -2.388465 0.000000\n1.378981 2.388465 0.000000\n0.000000 0.000000 4.322137\nZn Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Os\n","nsites":2,"nelements":2,"elements":["Zn","Os"],"chemical_system":"Os-Zn","density":14.909755412047351,"density_atomic":0.07024643800010953,"volume":28.471194510914298,"volume_molar":8.572877047503264,"formula_full":"Zn1 Os1","formula_reduced":"ZnOs","formula_anonymous":"AB","energy":-12.0329826,"energy_per_atom":-6.0164913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.0329826,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0124687,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.979000Z","spacegroup":187},{"id":"mp-1217422","created_at":"2022-09-04T14:45:37.010456Z","structure_string":"Tc1 Rh1\n1.0\n1.372489 -2.377221 0.000000\n1.372489 2.377221 0.000000\n0.000000 0.000000 4.363872\nTc Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.500000 Rh\n","nsites":2,"nelements":2,"elements":["Tc","Rh"],"chemical_system":"Rh-Tc","density":11.715490979565372,"density_atomic":0.07023434975730812,"volume":28.476094772869928,"volume_molar":8.574352550866147,"formula_full":"Tc1 Rh1","formula_reduced":"TcRh","formula_anonymous":"AB","energy":-17.93582711,"energy_per_atom":-8.967913555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.93582711,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.21e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.359000Z","spacegroup":187}]}