{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=7","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=5","results":[{"id":"mp-975065","created_at":"2022-09-04T14:40:23.066188Z","structure_string":"Re3\n1.0\n6.782774 -1.392476 0.000000\n6.782774 1.392476 0.000000\n6.496905 0.000000 2.394838\nRe\n3\ndirect\n0.000000 0.000000 0.000000 Re\n0.222337 0.222337 0.222337 Re\n0.777663 0.777663 0.777663 Re\n","nsites":3,"nelements":1,"elements":["Re"],"chemical_system":"Re","density":20.505254017435366,"density_atomic":0.066316264187289,"volume":45.237771408948234,"volume_molar":9.080940903112992,"formula_full":"Re3","formula_reduced":"Re","formula_anonymous":"A","energy":-37.27807494,"energy_per_atom":-12.426024980000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.27807494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016805,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.127000Z","spacegroup":166},{"id":"mp-1102921","created_at":"2022-09-04T14:45:38.596922Z","structure_string":"Re8 W4\n1.0\n2.567645 -4.447292 0.000000\n2.567645 4.447292 0.000000\n0.000000 0.000000 8.381436\nRe W\n8 4\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.827605 0.172395 0.250000 Re\n0.827605 0.655210 0.250000 Re\n0.344790 0.172395 0.250000 Re\n0.172395 0.827605 0.750000 Re\n0.172395 0.344790 0.750000 Re\n0.655210 0.827605 0.750000 Re\n0.333333 0.666667 0.433351 W\n0.666667 0.333333 0.566649 W\n0.666667 0.333333 0.933351 W\n0.333333 0.666667 0.066649 W\n","nsites":12,"nelements":2,"elements":["Re","W"],"chemical_system":"Re-W","density":19.30203875652327,"density_atomic":0.06269056638887725,"volume":191.41635960923583,"volume_molar":9.606135511113306,"formula_full":"Re8 W4","formula_reduced":"Re2W","formula_anonymous":"AB2","energy":-149.06403364,"energy_per_atom":-12.422002803333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.06403364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001588,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.760000Z","spacegroup":194},{"id":"mp-806","created_at":"2022-09-04T14:41:47.928111Z","structure_string":"Pu1 O1\n1.0\n0.000000 2.487380 2.487380\n2.487380 0.000000 2.487380\n2.487380 2.487380 0.000000\nPu O\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 O\n","nsites":2,"nelements":2,"elements":["Pu","O"],"chemical_system":"O-Pu","density":14.027007638378475,"density_atomic":0.06497908415873445,"volume":30.77913494616654,"volume_molar":9.267814155842496,"formula_full":"Pu1 O1","formula_reduced":"PuO","formula_anonymous":"AB","energy":-24.818248,"energy_per_atom":-12.409124,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.131248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6014285,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.629000Z","spacegroup":225},{"id":"mp-1992","created_at":"2022-09-04T14:39:08.958739Z","structure_string":"Pu10 Ru6\n1.0\n-5.411437 5.411437 2.834548\n5.411437 -5.411437 2.834548\n5.411437 5.411437 -2.834548\nPu Ru\n10 6\ndirect\n0.718086 0.587956 0.306041 Pu\n0.281914 0.412044 0.693959 Pu\n0.587956 0.281914 0.869870 Pu\n0.412044 0.718086 0.130130 Pu\n0.087956 0.218086 0.306041 Pu\n0.781914 0.087956 0.869870 Pu\n0.218086 0.912044 0.130130 Pu\n0.912044 0.781914 0.693959 Pu\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.147222 0.647222 0.794443 Ru\n0.352779 0.147222 0.500000 Ru\n0.647222 0.852779 0.500000 Ru\n0.852779 0.352779 0.205557 Ru\n0.750000 0.750000 0.000000 Ru\n0.250000 0.250000 0.000000 Ru\n","nsites":16,"nelements":2,"elements":["Pu","Ru"],"chemical_system":"Pu-Ru","density":15.235961088337492,"density_atomic":0.04818933821052072,"volume":332.0236507524163,"volume_molar":12.496832253000818,"formula_full":"Pu10 Ru6","formula_reduced":"Pu5Ru3","formula_anonymous":"A3B5","energy":-198.24715026,"energy_per_atom":-12.39044689125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.24715026,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0315739,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.975000Z","spacegroup":140},{"id":"mp-8642","created_at":"2022-09-04T14:45:19.151549Z","structure_string":"Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n","nsites":1,"nelements":1,"elements":["Re"],"chemical_system":"Re","density":20.455120497629814,"density_atomic":0.0661541268277012,"volume":15.116214935532374,"volume_molar":9.103197410019028,"formula_full":"Re1","formula_reduced":"Re","formula_anonymous":"A","energy":-12.38177043,"energy_per_atom":-12.38177043,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.38177043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003437,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.959000Z","spacegroup":225},{"id":"mp-1192771","created_at":"2022-09-04T14:40:22.183106Z","structure_string":"Os10 W20\n1.0\n9.712505 0.000000 0.000000\n0.000000 9.712505 0.000000\n0.000000 0.000000 5.004677\nOs W\n10 20\ndirect\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.431386 0.236089 0.500000 Os\n0.568614 0.763911 0.500000 Os\n0.068614 0.736089 0.000000 Os\n0.931386 0.263911 0.000000 Os\n0.236089 0.431386 0.500000 Os\n0.763911 0.568614 0.500000 Os\n0.736089 0.068614 0.000000 Os\n0.263911 0.931386 0.000000 Os\n0.103626 0.896374 0.500000 W\n0.896374 0.103626 0.500000 W\n0.396374 0.396374 0.000000 W\n0.603626 0.603626 0.000000 W\n0.369018 0.962688 0.500000 W\n0.630982 0.037312 0.500000 W\n0.130982 0.462688 0.000000 W\n0.869018 0.537312 0.000000 W\n0.962688 0.369018 0.500000 W\n0.037312 0.630982 0.500000 W\n0.462688 0.130982 0.000000 W\n0.537312 0.869018 0.000000 W\n0.319349 0.680651 0.249801 W\n0.680651 0.319349 0.249801 W\n0.180651 0.180651 0.749801 W\n0.819349 0.819349 0.749801 W\n0.680651 0.319349 0.750199 W\n0.319349 0.680651 0.750199 W\n0.819349 0.819349 0.250199 W\n0.180651 0.180651 0.250199 W\n","nsites":30,"nelements":2,"elements":["Os","W"],"chemical_system":"Os-W","density":19.623419088104253,"density_atomic":0.06354519115011743,"volume":472.10496116266,"volume_molar":9.47694176538624,"formula_full":"Os10 W20","formula_reduced":"OsW2","formula_anonymous":"AB2","energy":-371.32889527,"energy_per_atom":-12.377629842333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.32889527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0282153,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.064000Z","spacegroup":136},{"id":"mp-1102741","created_at":"2022-09-04T14:47:27.133458Z","structure_string":"Pu4 Os8\n1.0\n-2.672677 -4.629742 0.000000\n-2.672677 4.629742 0.000000\n0.000000 0.000000 -8.742671\nPu Os\n4 8\ndirect\n0.666681 0.333319 0.567525 Pu\n0.333319 0.666681 0.432475 Pu\n0.333319 0.666681 0.067525 Pu\n0.666681 0.333319 0.932475 Pu\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.170989 0.341882 0.750000 Os\n0.170912 0.829088 0.750000 Os\n0.658118 0.829011 0.750000 Os\n0.829011 0.658118 0.250000 Os\n0.829088 0.170912 0.250000 Os\n0.341882 0.170989 0.250000 Os\n","nsites":12,"nelements":2,"elements":["Pu","Os"],"chemical_system":"Os-Pu","density":19.170626948000304,"density_atomic":0.05546306279579323,"volume":216.3602115552511,"volume_molar":10.85793040707584,"formula_full":"Pu4 Os8","formula_reduced":"PuOs2","formula_anonymous":"AB2","energy":-148.35237215,"energy_per_atom":-12.362697679166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.35237215,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.1496513,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.571000Z","spacegroup":194},{"id":"mp-1217894","created_at":"2022-09-04T14:40:10.300989Z","structure_string":"Ta1 Re1\n1.0\n1.599387 -2.302371 0.000000\n1.599387 2.302371 0.000000\n0.000000 0.000000 4.467671\nTa Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Re\n","nsites":2,"nelements":2,"elements":["Ta","Re"],"chemical_system":"Re-Ta","density":18.529271914578253,"density_atomic":0.06078409399786087,"volume":32.903344747893826,"volume_molar":9.907428677331167,"formula_full":"Ta1 Re1","formula_reduced":"TaRe","formula_anonymous":"AB","energy":-24.70207745,"energy_per_atom":-12.351038725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.70207745,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002459,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.265000Z","spacegroup":65},{"id":"mp-1186818","created_at":"2022-09-04T14:40:21.481222Z","structure_string":"Pu6 Th2\n1.0\n3.447980 -5.972076 0.000000\n3.447980 5.972076 0.000000\n0.000000 0.000000 5.439356\nPu Th\n6 2\ndirect\n0.163522 0.327044 0.250000 Pu\n0.672956 0.836478 0.250000 Pu\n0.163522 0.836478 0.250000 Pu\n0.836478 0.672956 0.750000 Pu\n0.327044 0.163522 0.750000 Pu\n0.836478 0.163522 0.750000 Pu\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n","nsites":8,"nelements":2,"elements":["Pu","Th"],"chemical_system":"Pu-Th","density":14.292418677223996,"density_atomic":0.03571268010096622,"volume":224.01007085949726,"volume_molar":16.862752229668335,"formula_full":"Pu6 Th2","formula_reduced":"Pu3Th","formula_anonymous":"AB3","energy":-98.75968367,"energy_per_atom":-12.34496045875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.75968367,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":34.5604525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.330000Z","spacegroup":194},{"id":"mp-1186822","created_at":"2022-09-04T14:40:59.110666Z","structure_string":"Pu3 Th1\n1.0\n-2.344502 2.344502 4.727894\n2.344502 -2.344502 4.727894\n2.344502 2.344502 -4.727894\nPu Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Th\n","nsites":4,"nelements":2,"elements":["Pu","Th"],"chemical_system":"Pu-Th","density":15.399773740975764,"density_atomic":0.03847964474446441,"volume":103.95106364840936,"volume_molar":15.650198436061007,"formula_full":"Pu3 Th1","formula_reduced":"Pu3Th","formula_anonymous":"AB3","energy":-49.3555432,"energy_per_atom":-12.3388858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.3555432,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0627974,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.321000Z","spacegroup":139},{"id":"mp-1103459","created_at":"2022-09-04T14:41:24.118975Z","structure_string":"Np4 Re8\n1.0\n-2.553378 -4.495266 0.000000\n-2.553378 4.495266 0.000000\n0.000000 0.000000 -9.400734\nNp Re\n4 8\ndirect\n0.669020 0.330980 0.552647 Np\n0.330980 0.669020 0.447353 Np\n0.330980 0.669020 0.052647 Np\n0.669020 0.330980 0.947353 Np\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169851 0.336986 0.750000 Re\n0.169067 0.830933 0.750000 Re\n0.663014 0.830149 0.750000 Re\n0.830149 0.663014 0.250000 Re\n0.830933 0.169067 0.250000 Re\n0.336986 0.169851 0.250000 Re\n","nsites":12,"nelements":2,"elements":["Np","Re"],"chemical_system":"Np-Re","density":18.756821621404512,"density_atomic":0.05560565726419708,"volume":215.80538007103934,"volume_molar":10.83008646294248,"formula_full":"Np4 Re8","formula_reduced":"NpRe2","formula_anonymous":"AB2","energy":-147.9294246,"energy_per_atom":-12.32745205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.9294246,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4583438,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.098000Z","spacegroup":194},{"id":"mp-1224674","created_at":"2022-09-04T14:46:00.160883Z","structure_string":"Gd2 O3\n1.0\n3.839170 0.000000 0.000000\n0.000000 3.839170 0.000000\n0.000000 0.000000 5.637478\nGd O\n2 3\ndirect\n0.500000 0.000000 0.785105 Gd\n0.000000 0.500000 0.214895 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":2,"elements":["Gd","O"],"chemical_system":"Gd-O","density":7.244282957055915,"density_atomic":0.06017421836540982,"volume":83.0920639406954,"volume_molar":10.00784210179576,"formula_full":"Gd2 O3","formula_reduced":"Gd2O3","formula_anonymous":"A2B3","energy":-61.438060930000006,"energy_per_atom":-12.287612186,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.37706093,"band_gap":1.3250000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.4114499,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.484000Z","spacegroup":115}]}