{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=25","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=23","results":[{"id":"mp-977390","created_at":"2022-09-04T14:43:01.097674Z","structure_string":"Ta3 Ru1\n1.0\n0.000000 3.236626 3.236626\n3.236626 0.000000 3.236626\n3.236626 3.236626 0.000000\nTa Ru\n3 1\ndirect\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ru\n","nsites":4,"nelements":2,"elements":["Ta","Ru"],"chemical_system":"Ru-Ta","density":15.767729870017549,"density_atomic":0.05898647450656071,"volume":67.81215581133102,"volume_molar":10.209358688372186,"formula_full":"Ta3 Ru1","formula_reduced":"Ta3Ru","formula_anonymous":"AB3","energy":-45.71390135,"energy_per_atom":-11.4284753375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.71390135,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022896,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.797000Z","spacegroup":225},{"id":"mp-1215175","created_at":"2022-09-04T14:39:46.852899Z","structure_string":"Zr1 Ti1 W4\n1.0\n0.000000 3.791313 3.791313\n3.791313 0.000000 3.791313\n3.791313 3.791313 0.000000\nZr Ti W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624944 0.624944 0.125167 W\n0.624944 0.125167 0.624944 W\n0.125167 0.624944 0.624944 W\n0.624944 0.624944 0.624944 W\n","nsites":6,"nelements":3,"elements":["Zr","Ti","W"],"chemical_system":"Ti-W-Zr","density":13.322497900504619,"density_atomic":0.05504936765538769,"volume":108.99307758738222,"volume_molar":10.93952758494695,"formula_full":"Zr1 Ti1 W4","formula_reduced":"ZrTiW4","formula_anonymous":"ABC4","energy":-68.56535127,"energy_per_atom":-11.427558544999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.56535127,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.36e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.542000Z","spacegroup":216},{"id":"mp-557626","created_at":"2022-09-04T14:39:07.799526Z","structure_string":"Gd8 Ti4 O20\n1.0\n3.770939 0.000000 0.000000\n0.000000 10.563077 0.000000\n0.000000 0.000000 11.417061\nGd Ti O\n8 4 20\ndirect\n0.750000 0.363214 0.443918 Gd\n0.250000 0.636786 0.556082 Gd\n0.750000 0.888075 0.722675 Gd\n0.750000 0.388075 0.777325 Gd\n0.250000 0.111925 0.277325 Gd\n0.250000 0.611925 0.222675 Gd\n0.750000 0.863214 0.056082 Gd\n0.250000 0.136786 0.943918 Gd\n0.250000 0.176912 0.620714 Ti\n0.750000 0.323088 0.120714 Ti\n0.750000 0.823088 0.379286 Ti\n0.250000 0.676912 0.879286 Ti\n0.750000 0.239381 0.270005 O\n0.250000 0.260619 0.770005 O\n0.250000 0.224119 0.459071 O\n0.750000 0.006483 0.895687 O\n0.750000 0.987906 0.344398 O\n0.250000 0.493517 0.395687 O\n0.750000 0.506483 0.604313 O\n0.750000 0.775881 0.540929 O\n0.250000 0.765165 0.382132 O\n0.750000 0.734835 0.882132 O\n0.750000 0.275881 0.959071 O\n0.750000 0.487906 0.155602 O\n0.250000 0.265165 0.117868 O\n0.250000 0.012094 0.655602 O\n0.750000 0.234835 0.617868 O\n0.250000 0.993517 0.104313 O\n0.750000 0.739381 0.229995 O\n0.250000 0.724119 0.040929 O\n0.250000 0.512094 0.844398 O\n0.250000 0.760619 0.729995 O\n","nsites":32,"nelements":3,"elements":["Gd","Ti","O"],"chemical_system":"Gd-O-Ti","density":6.4609233834758495,"density_atomic":0.07036483993871652,"volume":454.77258283924255,"volume_molar":8.558451586395872,"formula_full":"Gd8 Ti4 O20","formula_reduced":"Gd2TiO5","formula_anonymous":"AB2C5","energy":-365.65820978,"energy_per_atom":-11.426819055625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.91820978,"band_gap":2.8111000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.925000Z","spacegroup":62},{"id":"mp-1187196","created_at":"2022-09-04T14:39:11.222664Z","structure_string":"Ta3 Ir1\n1.0\n0.000000 3.244549 3.244549\n3.244549 0.000000 3.244549\n3.244549 3.244549 0.000000\nTa Ir\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ir\n","nsites":4,"nelements":2,"elements":["Ta","Ir"],"chemical_system":"Ir-Ta","density":17.86813635820587,"density_atomic":0.058555404248104105,"volume":68.311371962384,"volume_molar":10.284517436654848,"formula_full":"Ta3 Ir1","formula_reduced":"Ta3Ir","formula_anonymous":"AB3","energy":-45.69878021,"energy_per_atom":-11.4246950525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.69878021,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027929,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.836000Z","spacegroup":225},{"id":"mp-1459","created_at":"2022-09-04T14:42:08.003192Z","structure_string":"Ta1 N1\n1.0\n1.477020 -2.558274 0.000000\n1.477020 2.558274 0.000000\n0.000000 0.000000 2.901479\nTa N\n1 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":14.763851879979619,"density_atomic":0.09121098279584229,"volume":21.927183971656174,"volume_molar":6.6024294173864675,"formula_full":"Ta1 N1","formula_reduced":"TaN","formula_anonymous":"AB","energy":-22.84421637,"energy_per_atom":-11.422108185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.48321637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.12e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.638000Z","spacegroup":187},{"id":"mp-864927","created_at":"2022-09-04T14:45:03.575036Z","structure_string":"Hf2 Re1 Os1\n1.0\n0.000000 3.263844 3.263844\n3.263844 0.000000 3.263844\n3.263844 3.263844 0.000000\nHf Re Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Hf","Re","Os"],"chemical_system":"Hf-Os-Re","density":17.51386087741521,"density_atomic":0.05752303832133696,"volume":69.53735610513264,"volume_molar":10.469093663583854,"formula_full":"Hf2 Re1 Os1","formula_reduced":"Hf2ReOs","formula_anonymous":"ABC2","energy":-45.68376551,"energy_per_atom":-11.4209413775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.68376551,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0109621,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.593000Z","spacegroup":225},{"id":"mp-1217394","created_at":"2022-09-04T14:40:06.576280Z","structure_string":"Th2 U2 Re8\n1.0\n2.725153 -4.720104 0.000000\n2.725153 4.720104 0.000000\n0.000000 0.000000 8.868937\nTh U Re\n2 2 8\ndirect\n0.666667 0.333333 0.433161 Th\n0.333333 0.666667 0.566839 Th\n0.333333 0.666667 0.938697 U\n0.666667 0.333333 0.061303 U\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.659109 0.829555 0.245088 Re\n0.170445 0.829555 0.245088 Re\n0.170445 0.340891 0.245088 Re\n0.340891 0.170445 0.754912 Re\n0.829555 0.170445 0.754912 Re\n0.829555 0.659109 0.754912 Re\n","nsites":12,"nelements":3,"elements":["Th","U","Re"],"chemical_system":"Re-Th-U","density":17.68372707858941,"density_atomic":0.052594123588555655,"volume":228.16237216682453,"volume_molar":11.450216011034362,"formula_full":"Th2 U2 Re8","formula_reduced":"ThURe4","formula_anonymous":"ABC4","energy":-137.04418443,"energy_per_atom":-11.4203487025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.04418443,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1758938,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.446000Z","spacegroup":164},{"id":"mp-510402","created_at":"2022-09-04T14:46:21.297463Z","structure_string":"Gd1 S1\n1.0\n0.000000 2.794370 2.794370\n2.794370 0.000000 2.794370\n2.794370 2.794370 0.000000\nGd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 S\n","nsites":2,"nelements":2,"elements":["Gd","S"],"chemical_system":"Gd-S","density":7.203646573125033,"density_atomic":0.04582983246297679,"volume":43.639696951012894,"volume_molar":13.140219888137123,"formula_full":"Gd1 S1","formula_reduced":"GdS","formula_anonymous":"AB","energy":-22.83722957,"energy_per_atom":-11.418614785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.33422957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7844332,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.485000Z","spacegroup":225},{"id":"mp-31101","created_at":"2022-09-04T14:42:26.764239Z","structure_string":"Gd6 Re2 O14\n1.0\n3.744266 -5.375093 0.000000\n3.744266 5.375093 0.000000\n0.000000 0.000000 7.501829\nGd Re O\n6 2 14\ndirect\n0.500000 0.500000 0.000000 Gd\n0.500000 0.500000 0.500000 Gd\n0.444785 0.979444 0.750000 Gd\n0.555215 0.020556 0.250000 Gd\n0.979444 0.444785 0.750000 Gd\n0.020556 0.555215 0.250000 Gd\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.610778 0.345235 0.750000 O\n0.389222 0.654765 0.250000 O\n0.345235 0.610778 0.750000 O\n0.654765 0.389222 0.250000 O\n0.320010 0.067364 0.029577 O\n0.679990 0.932636 0.529577 O\n0.067364 0.320010 0.470423 O\n0.932636 0.679990 0.970423 O\n0.951172 0.951172 0.250000 O\n0.048828 0.048828 0.750000 O\n0.067364 0.320010 0.029577 O\n0.932636 0.679990 0.529577 O\n0.320010 0.067364 0.470423 O\n0.679990 0.932636 0.970423 O\n","nsites":22,"nelements":3,"elements":["Gd","Re","O"],"chemical_system":"Gd-O-Re","density":8.46824399026076,"density_atomic":0.07285726222269417,"volume":301.9602895968723,"volume_molar":8.265669854012405,"formula_full":"Gd6 Re2 O14","formula_reduced":"Gd3ReO7","formula_anonymous":"AB3C7","energy":-251.20535368000003,"energy_per_atom":-11.418425167272728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.58735368000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.3471472,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.499000Z","spacegroup":63},{"id":"mp-1224680","created_at":"2022-09-04T14:47:24.044456Z","structure_string":"Gd2 Sb1 O2\n1.0\n-1.944923 1.951785 6.728308\n1.944923 -1.951785 6.728308\n1.944923 1.951785 -6.728308\nGd Sb O\n2 1 2\ndirect\n0.336143 0.323936 0.987793 Gd\n0.663857 0.651651 0.987793 Gd\n0.000000 0.967804 0.967804 Sb\n0.750167 0.236272 0.486105 O\n0.249833 0.735938 0.486105 O\n","nsites":5,"nelements":3,"elements":["Gd","Sb","O"],"chemical_system":"Gd-O-Sb","density":7.6108787284528905,"density_atomic":0.04894065314509018,"volume":102.16455397881444,"volume_molar":12.30498649486077,"formula_full":"Gd2 Sb1 O2","formula_reduced":"Gd2SbO2","formula_anonymous":"AB2C2","energy":-57.07217074,"energy_per_atom":-11.414434148,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.50617074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9493421,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.872000Z","spacegroup":44},{"id":"mp-1220322","created_at":"2022-09-04T14:44:18.210338Z","structure_string":"Nb1 Re1\n1.0\n1.600317 -2.274366 0.000000\n1.600317 2.274366 0.000000\n0.000000 0.000000 4.535669\nNb Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Re\n","nsites":2,"nelements":2,"elements":["Nb","Re"],"chemical_system":"Nb-Re","density":14.037573111624948,"density_atomic":0.06057483968429644,"volume":33.01700855377558,"volume_molar":9.94165364924803,"formula_full":"Nb1 Re1","formula_reduced":"NbRe","formula_anonymous":"AB","energy":-22.82601076,"energy_per_atom":-11.41300538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.82601076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013699,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.296000Z","spacegroup":65},{"id":"mp-1186413","created_at":"2022-09-04T14:43:59.601270Z","structure_string":"Pa1 Re3\n1.0\n-2.149329 2.149329 3.774574\n2.149329 -2.149329 3.774574\n2.149329 2.149329 -3.774574\nPa Re\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.749998 0.250000 0.499998 Re\n0.250000 0.749998 0.499998 Re\n0.500001 0.500001 0.000000 Re\n","nsites":4,"nelements":2,"elements":["Pa","Re"],"chemical_system":"Pa-Re","density":18.79982422363402,"density_atomic":0.0573490540737676,"volume":69.74831694442308,"volume_molar":10.500854560310222,"formula_full":"Pa1 Re3","formula_reduced":"PaRe3","formula_anonymous":"AB3","energy":-45.64606857,"energy_per_atom":-11.4115171425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.64606857,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001194,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.068000Z","spacegroup":139}]}