{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10245","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10243","results":[{"id":"mp-5106","created_at":"2022-09-04T14:45:53.252686Z","structure_string":"Tb1 Co1 C2\n1.0\n2.256786 -3.003071 0.000000\n2.256786 3.003071 0.000000\n0.000000 0.000000 3.599797\nTb Co C\n1 1 2\ndirect\n0.995999 0.004001 0.000000 Tb\n0.379412 0.620588 0.500000 Co\n0.536975 0.157387 0.500000 C\n0.842613 0.463025 0.500000 C\n","nsites":4,"nelements":3,"elements":["Tb","Co","C"],"chemical_system":"C-Co-Tb","density":8.231613545932763,"density_atomic":0.08197775218224203,"volume":48.79372626743574,"volume_molar":7.346067194685185,"formula_full":"Tb1 Co1 C2","formula_reduced":"TbCoC2","formula_anonymous":"ABC2","energy":-31.55286592,"energy_per_atom":-7.88821648,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.55286592,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.964000Z","spacegroup":38},{"id":"mp-1184409","created_at":"2022-09-04T14:39:28.534836Z","structure_string":"Gd2 Mg1 Cd1\n1.0\n0.000000 3.770631 3.770631\n3.770631 0.000000 3.770631\n3.770631 3.770631 0.000000\nGd Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Gd","Mg","Cd"],"chemical_system":"Cd-Gd-Mg","density":6.988138307199738,"density_atomic":0.03730679102766579,"volume":107.21908504630429,"volume_molar":16.142210557681388,"formula_full":"Gd2 Mg1 Cd1","formula_reduced":"Gd2MgCd","formula_anonymous":"ABC2","energy":-31.552548,"energy_per_atom":-7.888137,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.552548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.2134357,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.472000Z","spacegroup":225},{"id":"mp-1112884","created_at":"2022-09-04T14:41:32.916160Z","structure_string":"Cs2 Nd1 Cu1 I6\n1.0\n0.000000 6.024773 6.024773\n6.024773 0.000000 6.024773\n6.024773 6.024773 0.000000\nCs Nd Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759039 0.240961 0.240961 I\n0.240961 0.240961 0.759039 I\n0.240961 0.759039 0.759039 I\n0.240961 0.759039 0.240961 I\n0.759039 0.240961 0.759039 I\n0.759039 0.759039 0.240961 I\n","nsites":10,"nelements":4,"elements":["Cs","Nd","Cu","I"],"chemical_system":"Cs-Cu-I-Nd","density":4.688922345074309,"density_atomic":0.0228637750941921,"volume":437.37309166149987,"volume_molar":26.339223226219342,"formula_full":"Cs2 Nd1 Cu1 I6","formula_reduced":"Cs2NdCuI6","formula_anonymous":"ABC2D6","energy":-33.82595023,"energy_per_atom":-3.3825950229999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.551950230000003,"band_gap":1.7889,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016821,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.939000Z","spacegroup":225},{"id":"mp-1227558","created_at":"2022-09-04T14:44:17.487903Z","structure_string":"Ca4 Ga1 Si3\n1.0\n4.018441 0.000000 0.000000\n0.000000 4.500851 0.000000\n0.000000 0.000000 10.835509\nCa Ga Si\n4 1 3\ndirect\n0.000000 0.000000 0.364585 Ca\n0.000000 0.500000 0.858767 Ca\n0.500000 0.500000 0.140433 Ca\n0.500000 0.000000 0.637763 Ca\n0.000000 0.000000 0.069735 Ga\n0.000000 0.500000 0.567195 Si\n0.500000 0.500000 0.433212 Si\n0.500000 0.000000 0.928311 Si\n","nsites":8,"nelements":3,"elements":["Ca","Ga","Si"],"chemical_system":"Ca-Ga-Si","density":2.6630552929754074,"density_atomic":0.040821450994387276,"volume":195.97539541404237,"volume_molar":14.75239270850027,"formula_full":"Ca4 Ga1 Si3","formula_reduced":"Ca4GaSi3","formula_anonymous":"AB3C4","energy":-31.33675247,"energy_per_atom":-3.91709405875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54975247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019605,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.434000Z","spacegroup":25},{"id":"mp-1078724","created_at":"2022-09-04T14:48:15.351358Z","structure_string":"Li2 As2 Se4\n1.0\n2.773286 6.256998 0.000000\n-2.773286 6.256998 0.000000\n0.000000 2.193633 5.192219\nLi As Se\n2 2 4\ndirect\n0.738598 0.261282 0.497474 Li\n0.261282 0.738598 0.997474 Li\n0.563094 0.008741 0.163760 As\n0.008741 0.563094 0.663760 As\n0.516426 0.970064 0.762609 Se\n0.970064 0.516426 0.262609 Se\n0.749674 0.229280 0.010866 Se\n0.229280 0.749674 0.510866 Se\n","nsites":8,"nelements":3,"elements":["Li","As","Se"],"chemical_system":"As-Li-Se","density":4.419295937247821,"density_atomic":0.044396252611156276,"volume":180.19538878805483,"volume_molar":13.564524944807399,"formula_full":"Li2 As2 Se4","formula_reduced":"LiAsSe2","formula_anonymous":"ABC2","energy":-33.43721801,"energy_per_atom":-4.17965225125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54921801,"band_gap":0.7504,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013257,"is_theoretical":false,"updated_at":"2021-11-28T01:40:06.620000Z","spacegroup":9},{"id":"mp-972051","created_at":"2022-09-04T14:46:22.093652Z","structure_string":"Yb2 Ga4 Pd2\n1.0\n2.217538 -4.934288 0.000000\n2.217538 4.934288 0.000000\n0.000000 0.000000 6.883811\nYb Ga Pd\n2 4 2\ndirect\n0.583626 0.416374 0.250000 Yb\n0.416374 0.583626 0.750000 Yb\n0.867439 0.132561 0.056242 Ga\n0.132561 0.867439 0.556242 Ga\n0.132561 0.867439 0.943758 Ga\n0.867439 0.132561 0.443758 Ga\n0.296416 0.703584 0.250000 Pd\n0.703584 0.296416 0.750000 Pd\n","nsites":8,"nelements":3,"elements":["Yb","Ga","Pd"],"chemical_system":"Ga-Pd-Yb","density":9.235090915572298,"density_atomic":0.05310500918506111,"volume":150.64492263096093,"volume_molar":11.340061610786954,"formula_full":"Yb2 Ga4 Pd2","formula_reduced":"YbGa2Pd","formula_anonymous":"ABC2","energy":-31.54869111,"energy_per_atom":-3.94358638875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54869111,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.99e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.011000Z","spacegroup":63},{"id":"mp-1185357","created_at":"2022-09-04T14:48:11.621421Z","structure_string":"Li1 La1 O3\n1.0\n3.822632 0.000000 0.000000\n0.000000 3.822632 0.000000\n0.000000 0.000000 3.822632\nLi La O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Li","La","O"],"chemical_system":"La-Li-O","density":5.76256037230548,"density_atomic":0.08951226183318377,"volume":55.858268996912024,"volume_molar":6.727727170186965,"formula_full":"Li1 La1 O3","formula_reduced":"LiLaO3","formula_anonymous":"ABC3","energy":-33.60753636,"energy_per_atom":-6.721507271999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54653636,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9983233,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.047000Z","spacegroup":221},{"id":"mp-1018784","created_at":"2022-09-04T14:44:29.673220Z","structure_string":"Li1 Ce1 Cu2 P2\n1.0\n2.006952 -3.476144 0.000000\n2.006952 3.476144 0.000000\n0.000000 0.000000 6.739299\nLi Ce Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.339399 Cu\n0.333333 0.666667 0.660601 Cu\n0.666667 0.333333 0.731156 P\n0.333333 0.666667 0.268844 P\n","nsites":6,"nelements":4,"elements":["Li","Ce","Cu","P"],"chemical_system":"Ce-Cu-Li-P","density":5.935176700491761,"density_atomic":0.06380750823507876,"volume":94.03282099490362,"volume_molar":9.43798140151988,"formula_full":"Li1 Ce1 Cu2 P2","formula_reduced":"LiCe(CuP)2","formula_anonymous":"ABC2D2","energy":-31.545364740000004,"energy_per_atom":-5.25756079,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.545364740000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8888615,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.491000Z","spacegroup":164},{"id":"mp-1219395","created_at":"2022-09-04T14:43:56.322708Z","structure_string":"Sc2 Se3\n1.0\n-1.917255 2.711144 5.952328\n1.917255 -2.711144 5.952328\n1.917255 2.711144 -5.952328\nSc Se\n2 3\ndirect\n0.661989 0.161989 0.500000 Sc\n0.338011 0.838011 0.500000 Sc\n0.500000 0.500000 0.000000 Se\n0.178658 0.178658 0.000000 Se\n0.821342 0.821342 0.000000 Se\n","nsites":5,"nelements":2,"elements":["Sc","Se"],"chemical_system":"Sc-Se","density":4.384710953831707,"density_atomic":0.040400867809063545,"volume":123.75971782661307,"volume_molar":14.905968823394902,"formula_full":"Sc2 Se3","formula_reduced":"Sc2Se3","formula_anonymous":"A2B3","energy":-32.96105294,"energy_per_atom":-6.592210588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54505294,"band_gap":0.6246999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.950000Z","spacegroup":71},{"id":"mp-1001614","created_at":"2022-09-04T14:46:56.967807Z","structure_string":"Lu1 Co1 C2\n1.0\n2.237954 -2.963585 0.000000\n2.237954 2.963585 0.000000\n0.000000 0.000000 3.433552\nLu Co C\n1 1 2\ndirect\n0.999101 0.000899 0.000000 Lu\n0.616304 0.383696 0.500000 Co\n0.458913 0.849318 0.500000 C\n0.150682 0.541087 0.500000 C\n","nsites":4,"nelements":3,"elements":["Lu","Co","C"],"chemical_system":"C-Co-Lu","density":9.403610561240681,"density_atomic":0.08782493218000463,"volume":45.54515330341117,"volume_molar":6.856983103223026,"formula_full":"Lu1 Co1 C2","formula_reduced":"LuCoC2","formula_anonymous":"ABC2","energy":-31.54305648,"energy_per_atom":-7.88576412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54305648,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.54e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.346000Z","spacegroup":38},{"id":"mp-1224345","created_at":"2022-09-04T14:41:54.987298Z","structure_string":"Hf1 Mo2\n1.0\n0.000000 2.405472 6.782221\n1.617756 0.000000 6.782221\n1.617756 2.405472 0.000000\nHf Mo\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.325507 0.325507 0.674493 Mo\n0.674493 0.674493 0.325507 Mo\n","nsites":3,"nelements":2,"elements":["Hf","Mo"],"chemical_system":"Hf-Mo","density":11.651172732132201,"density_atomic":0.056833708645048,"volume":52.785575172233536,"volume_molar":10.596072126158388,"formula_full":"Hf1 Mo2","formula_reduced":"HfMo2","formula_anonymous":"AB2","energy":-31.5425483,"energy_per_atom":-10.514182766666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.5425483,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011866,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.413000Z","spacegroup":69},{"id":"mp-1078497","created_at":"2022-09-04T14:41:01.529399Z","structure_string":"Yb2 Ga4 Ni2\n1.0\n2.047091 -4.775569 0.000000\n2.047091 4.775569 0.000000\n0.000000 0.000000 6.955428\nYb Ga Ni\n2 4 2\ndirect\n0.567030 0.432970 0.250000 Yb\n0.432970 0.567030 0.750000 Yb\n0.852680 0.147320 0.445946 Ga\n0.147320 0.852680 0.554054 Ga\n0.852680 0.147320 0.054054 Ga\n0.147320 0.852680 0.945946 Ga\n0.288029 0.711971 0.250000 Ni\n0.711971 0.288029 0.750000 Ni\n","nsites":8,"nelements":3,"elements":["Yb","Ga","Ni"],"chemical_system":"Ga-Ni-Yb","density":9.064562134555862,"density_atomic":0.05882661496939316,"volume":135.99286656494363,"volume_molar":10.237102310124852,"formula_full":"Yb2 Ga4 Ni2","formula_reduced":"YbGa2Ni","formula_anonymous":"ABC2","energy":-31.54055552,"energy_per_atom":-3.94256944,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.54055552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004243,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.037000Z","spacegroup":63}]}