{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=12171","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=12169","results":[{"id":"mp-752459","created_at":"2022-09-04T14:46:13.251092Z","structure_string":"Gd10 Y6 O24\n1.0\n-5.400452 5.400689 5.404364\n5.400452 -5.400689 5.404364\n5.400452 5.400689 -5.404364\nGd Y O\n10 6 24\ndirect\n0.216490 0.966490 0.250000 Gd\n0.032478 0.750000 0.782478 Gd\n0.532033 0.750000 0.282033 Gd\n0.718161 0.468161 0.250000 Gd\n0.283510 0.533510 0.750000 Gd\n0.467522 0.250000 0.717522 Gd\n0.967967 0.250000 0.217967 Gd\n0.750000 0.282406 0.532406 Gd\n0.250000 0.217594 0.967594 Gd\n0.781839 0.031839 0.750000 Gd\n0.999514 0.500595 0.000799 Y\n0.750000 0.783292 0.033292 Y\n0.250000 0.716708 0.466708 Y\n0.999796 0.998715 0.499201 Y\n0.500204 0.999405 0.998919 Y\n0.500486 0.501285 0.501081 Y\n0.491141 0.763513 0.031638 O\n0.268125 0.736487 0.227628 O\n0.041784 0.273331 0.010597 O\n0.237401 0.966104 0.510389 O\n0.262599 0.772988 0.728703 O\n0.458216 0.468813 0.231547 O\n0.008859 0.040497 0.272372 O\n0.231875 0.459503 0.468362 O\n0.529206 0.769330 0.541862 O\n0.772532 0.730670 0.259876 O\n0.032021 0.490336 0.763584 O\n0.273248 0.009664 0.041685 O\n0.226752 0.268437 0.736416 O\n0.467979 0.231563 0.458315 O\n0.727468 0.987344 0.958138 O\n0.970794 0.512656 0.240124 O\n0.768677 0.542225 0.531399 O\n0.989174 0.957775 0.726452 O\n0.544285 0.533896 0.771297 O\n0.737266 0.226669 0.268453 O\n0.955715 0.727012 0.989611 O\n0.762734 0.031187 0.489403 O\n0.510826 0.237278 0.968601 O\n0.731323 0.262722 0.773548 O\n","nsites":40,"nelements":3,"elements":["Gd","Y","O"],"chemical_system":"Gd-O-Y","density":6.55768800041045,"density_atomic":0.063441892285617,"volume":630.4982174856794,"volume_molar":9.492372536569638,"formula_full":"Gd10 Y6 O24","formula_reduced":"Gd5Y3O12","formula_anonymous":"A3B5C12","energy":-455.55906247,"energy_per_atom":-11.38897656175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-439.07106247,"band_gap":3.0149,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":70.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.165000Z","spacegroup":24},{"id":"mp-866029","created_at":"2022-09-04T14:46:11.855775Z","structure_string":"Gd2 Ir1 Pd1\n1.0\n0.000000 3.500569 3.500569\n3.500569 0.000000 3.500569\n3.500569 3.500569 0.000000\nGd Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Gd","Ir","Pd"],"chemical_system":"Gd-Ir-Pd","density":11.867539856189829,"density_atomic":0.046624487195248775,"volume":85.79182829934945,"volume_molar":12.916261651910846,"formula_full":"Gd2 Ir1 Pd1","formula_reduced":"Gd2IrPd","formula_anonymous":"ABC2","energy":-45.55772377,"energy_per_atom":-11.3894309425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.55772377,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.1089706,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.454000Z","spacegroup":225},{"id":"mp-770189","created_at":"2022-09-04T14:41:30.694860Z","structure_string":"Gd8 Ti4 O20\n1.0\n3.678627 0.000000 0.000000\n0.000000 7.551681 0.000000\n0.000000 0.000000 15.738967\nGd Ti O\n8 4 20\ndirect\n0.750000 0.610775 0.081669 Gd\n0.750000 0.654394 0.738886 Gd\n0.250000 0.845606 0.238886 Gd\n0.250000 0.889225 0.581669 Gd\n0.750000 0.110775 0.418331 Gd\n0.750000 0.154394 0.761114 Gd\n0.250000 0.345606 0.261114 Gd\n0.250000 0.389225 0.918331 Gd\n0.750000 0.615700 0.423224 Ti\n0.250000 0.884300 0.923224 Ti\n0.750000 0.115700 0.076776 Ti\n0.250000 0.384300 0.576776 Ti\n0.250000 0.576999 0.173053 O\n0.250000 0.577254 0.452969 O\n0.250000 0.614478 0.648340 O\n0.250000 0.660061 0.993164 O\n0.750000 0.746608 0.324590 O\n0.250000 0.753392 0.824590 O\n0.750000 0.839939 0.493164 O\n0.750000 0.885522 0.148340 O\n0.750000 0.922746 0.952969 O\n0.750000 0.923001 0.673053 O\n0.250000 0.076999 0.326947 O\n0.250000 0.077254 0.047031 O\n0.250000 0.114478 0.851660 O\n0.250000 0.160061 0.506836 O\n0.750000 0.246608 0.175410 O\n0.250000 0.253392 0.675410 O\n0.750000 0.339939 0.006836 O\n0.750000 0.385522 0.351660 O\n0.750000 0.422746 0.547031 O\n0.750000 0.423001 0.826947 O\n","nsites":32,"nelements":3,"elements":["Gd","Ti","O"],"chemical_system":"Gd-O-Ti","density":6.720216277552231,"density_atomic":0.07318875564023901,"volume":437.22563281847187,"volume_molar":8.228232202227852,"formula_full":"Gd8 Ti4 O20","formula_reduced":"Gd2TiO5","formula_anonymous":"AB2C5","energy":-364.46240592,"energy_per_atom":-11.389450185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.72240592,"band_gap":2.7020000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.8389958,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.988000Z","spacegroup":62},{"id":"mp-1218120","created_at":"2022-09-04T14:44:59.716118Z","structure_string":"Ta12 C8\n1.0\n1.568830 -2.717294 0.000000\n1.568830 2.717294 0.000000\n0.000000 0.000000 30.326569\nTa C\n12 8\ndirect\n0.000000 0.000000 0.875517 Ta\n0.666667 0.333333 0.206943 Ta\n0.333333 0.666667 0.540767 Ta\n0.333333 0.666667 0.793057 Ta\n0.000000 0.000000 0.124483 Ta\n0.666667 0.333333 0.459233 Ta\n0.000000 0.000000 0.710667 Ta\n0.666667 0.333333 0.042439 Ta\n0.333333 0.666667 0.377166 Ta\n0.333333 0.666667 0.957561 Ta\n0.000000 0.000000 0.289333 Ta\n0.666667 0.333333 0.622834 Ta\n0.666667 0.333333 0.915782 C\n0.333333 0.666667 0.246891 C\n0.000000 0.000000 0.580354 C\n0.666667 0.333333 0.753109 C\n0.333333 0.666667 0.084218 C\n0.000000 0.000000 0.419646 C\n0.666667 0.333333 0.333301 C\n0.333333 0.666667 0.666699 C\n","nsites":20,"nelements":2,"elements":["Ta","C"],"chemical_system":"C-Ta","density":14.562065239260757,"density_atomic":0.07735069237771024,"volume":258.5626499933348,"volume_molar":7.785503367692376,"formula_full":"Ta12 C8","formula_reduced":"Ta3C2","formula_anonymous":"A2B3","energy":-227.84819236,"energy_per_atom":-11.392409618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.84819236,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022906,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.710000Z","spacegroup":164},{"id":"mp-1189998","created_at":"2022-09-04T14:40:17.206636Z","structure_string":"Gd8 C12\n1.0\n-4.175998 4.175998 4.175998\n4.175998 -4.175998 4.175998\n4.175998 4.175998 -4.175998\nGd C\n8 12\ndirect\n0.602913 0.500000 0.000000 Gd\n0.500000 0.000000 0.602913 Gd\n0.000000 0.602913 0.500000 Gd\n0.897087 0.897087 0.897087 Gd\n0.500000 0.000000 0.102913 Gd\n0.102913 0.500000 0.000000 Gd\n0.000000 0.102913 0.500000 Gd\n0.397087 0.397087 0.397087 Gd\n0.794751 0.250000 0.044751 C\n0.705249 0.750000 0.455249 C\n0.544751 0.750000 0.294751 C\n0.955249 0.250000 0.205249 C\n0.250000 0.044751 0.794751 C\n0.750000 0.455249 0.705249 C\n0.750000 0.294751 0.544751 C\n0.250000 0.205249 0.955249 C\n0.044751 0.794751 0.250000 C\n0.455249 0.705249 0.750000 C\n0.294751 0.544751 0.750000 C\n0.205249 0.955249 0.250000 C\n","nsites":20,"nelements":2,"elements":["Gd","C"],"chemical_system":"C-Gd","density":7.992746631496947,"density_atomic":0.06865768540245579,"volume":291.3002365687764,"volume_molar":8.771255140192354,"formula_full":"Gd8 C12","formula_reduced":"Gd2C3","formula_anonymous":"A2B3","energy":-227.94420282,"energy_per_atom":-11.397210140999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.94420282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.7661016,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.733000Z","spacegroup":220},{"id":"mp-974437","created_at":"2022-09-04T14:44:26.017655Z","structure_string":"Re4 C2\n1.0\n1.433013 -2.482051 0.000000\n1.433013 2.482051 0.000000\n0.000000 0.000000 9.915113\nRe C\n4 2\ndirect\n0.333333 0.666667 0.608386 Re\n0.666667 0.333333 0.108386 Re\n0.666667 0.333333 0.391614 Re\n0.333333 0.666667 0.891614 Re\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n","nsites":6,"nelements":2,"elements":["Re","C"],"chemical_system":"C-Re","density":18.10097140478265,"density_atomic":0.08506732090576366,"volume":70.53237290318232,"volume_molar":7.079264629329563,"formula_full":"Re4 C2","formula_reduced":"Re2C","formula_anonymous":"AB2","energy":-68.41012677,"energy_per_atom":-11.401687795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.41012677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.8e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.869000Z","spacegroup":194},{"id":"mp-1186915","created_at":"2022-09-04T14:46:03.584742Z","structure_string":"Re1 Tc1\n1.0\n1.384644 -2.398274 0.000000\n1.384644 2.398274 0.000000\n0.000000 0.000000 4.464644\nRe Tc\n1 1\ndirect\n0.333333 0.666667 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n","nsites":2,"nelements":2,"elements":["Re","Tc"],"chemical_system":"Re-Tc","density":15.915859980997434,"density_atomic":0.06744911220000939,"volume":29.651984062730506,"volume_molar":8.928421091951988,"formula_full":"Re1 Tc1","formula_reduced":"ReTc","formula_anonymous":"AB","energy":-22.81212815,"energy_per_atom":-11.406064075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.81212815,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002438,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.749000Z","spacegroup":187},{"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},{"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-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-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-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}]}