{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=10171","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=10169","results":[{"id":"mp-30614","created_at":"2022-09-04T14:43:04.069303Z","structure_string":"Er1 Zn12\n1.0\n-4.445897 4.445897 2.592493\n4.445897 -4.445897 2.592493\n4.445897 4.445897 -2.592493\nEr Zn\n1 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.715474 0.500000 0.215474 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.353871 0.000000 0.353871 Zn\n0.000000 0.646129 0.646129 Zn\n0.000000 0.353871 0.353871 Zn\n0.646129 0.000000 0.646129 Zn\n0.284526 0.500000 0.784526 Zn\n0.500000 0.715474 0.215474 Zn\n0.500000 0.284526 0.784526 Zn\n","nsites":13,"nelements":2,"elements":["Er","Zn"],"chemical_system":"Er-Zn","density":7.713755080156627,"density_atomic":0.06342302827760049,"volume":204.97286794789161,"volume_molar":9.495195867408428,"formula_full":"Er1 Zn12","formula_reduced":"ErZn12","formula_anonymous":"AB12","energy":-21.92834833,"energy_per_atom":-1.6867960253846153,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.92834833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065816,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.902000Z","spacegroup":139},{"id":"mp-1215846","created_at":"2022-09-04T14:42:44.080132Z","structure_string":"Yb1 Zn2 Ga2\n1.0\n4.165443 0.000000 0.000000\n0.000000 4.165443 0.000000\n2.082722 2.082722 5.499809\nYb Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.389735 0.389735 0.220531 Zn\n0.610265 0.610265 0.779469 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n","nsites":5,"nelements":3,"elements":["Yb","Zn","Ga"],"chemical_system":"Ga-Yb-Zn","density":7.714019781411898,"density_atomic":0.05239622580118915,"volume":95.42672059953073,"volume_molar":11.493462874311314,"formula_full":"Yb1 Zn2 Ga2","formula_reduced":"Yb(ZnGa)2","formula_anonymous":"AB2C2","energy":-11.96710512,"energy_per_atom":-2.393421024,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.96710512,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040482,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.659000Z","spacegroup":139},{"id":"mp-999139","created_at":"2022-09-04T14:45:30.232458Z","structure_string":"Ta1 Hg1 S2\n1.0\n9.748394 -1.689713 0.000000\n9.748394 1.689713 0.000000\n9.455512 0.000000 2.911977\nTa Hg S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.719405 0.719405 0.719405 S\n0.280595 0.280595 0.280595 S\n","nsites":4,"nelements":3,"elements":["Ta","Hg","S"],"chemical_system":"Hg-S-Ta","density":7.714299167770317,"density_atomic":0.04169615765813602,"volume":95.93210081359845,"volume_molar":14.442915362550009,"formula_full":"Ta1 Hg1 S2","formula_reduced":"TaHgS2","formula_anonymous":"ABC2","energy":-24.46670613,"energy_per_atom":-6.1166765325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.46070613,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0109943,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.427000Z","spacegroup":166},{"id":"mp-1213308","created_at":"2022-09-04T14:40:25.090868Z","structure_string":"Er4 Sb4 O16\n1.0\n5.354688 -0.253679 0.070676\n0.096430 7.539963 1.190813\n-0.156427 -0.037756 7.514566\nEr Sb O\n4 4 16\ndirect\n0.261657 0.136842 0.617507 Er\n0.738343 0.863158 0.382493 Er\n0.214169 0.157983 0.111481 Er\n0.785831 0.842017 0.888519 Er\n0.239275 0.663090 0.195151 Sb\n0.760725 0.336910 0.804849 Sb\n0.727379 0.335633 0.307492 Sb\n0.272621 0.664367 0.692508 Sb\n0.089547 0.432208 0.687692 O\n0.910453 0.567792 0.312308 O\n0.607015 0.322828 0.559965 O\n0.392985 0.677172 0.440035 O\n0.877292 0.333094 0.060517 O\n0.122708 0.666906 0.939483 O\n0.398238 0.428752 0.198223 O\n0.601762 0.571248 0.801777 O\n0.042925 0.887524 0.173748 O\n0.957075 0.112476 0.826252 O\n0.519918 0.108892 0.314767 O\n0.480082 0.891108 0.685233 O\n0.460894 0.193923 0.879368 O\n0.539106 0.806077 0.120632 O\n0.001654 0.173602 0.382905 O\n0.998346 0.826398 0.617095 O\n","nsites":24,"nelements":3,"elements":["Er","Sb","O"],"chemical_system":"Er-O-Sb","density":7.714420367939389,"density_atomic":0.07896057922533385,"volume":303.94913810738353,"volume_molar":7.626768723180598,"formula_full":"Er4 Sb4 O16","formula_reduced":"ErSbO4","formula_anonymous":"ABC4","energy":-183.05103944,"energy_per_atom":-7.627126643333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.05903944,"band_gap":2.3824,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005216,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.685000Z","spacegroup":2},{"id":"mp-1520691","created_at":"2022-09-04T14:44:57.804832Z","structure_string":"Eu2 Hf1 Zr1 O6\n1.0\n0.000000 -4.161505 -4.161505\n4.161505 -0.000000 -4.161505\n4.161505 -4.161505 -0.000000\nEu Hf Zr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751900 0.248100 0.248100 O\n0.248100 0.751900 0.751900 O\n0.751900 0.248100 0.751900 O\n0.248100 0.751900 0.248100 O\n0.751900 0.751900 0.248100 O\n0.248100 0.248100 0.751900 O\n","nsites":10,"nelements":4,"elements":["Eu","Hf","Zr","O"],"chemical_system":"Eu-Hf-O-Zr","density":7.71450721482551,"density_atomic":0.06937751532434462,"volume":144.13891810984174,"volume_molar":8.680248538515801,"formula_full":"Eu2 Hf1 Zr1 O6","formula_reduced":"Eu2HfZrO6","formula_anonymous":"ABC2D6","energy":-105.10259598000002,"energy_per_atom":-10.510259598000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.98059598,"band_gap":0.3481000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.185000Z","spacegroup":225},{"id":"mp-1183823","created_at":"2022-09-04T14:43:13.690459Z","structure_string":"Dy1 In1 O3\n1.0\n4.121735 0.000000 0.000000\n0.000000 4.121735 0.000000\n0.000000 0.000000 4.121735\nDy In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 In\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":["Dy","In","O"],"chemical_system":"Dy-In-O","density":7.714620905876316,"density_atomic":0.07140519442511772,"volume":70.02291696360375,"volume_molar":8.433757247612272,"formula_full":"Dy1 In1 O3","formula_reduced":"DyInO3","formula_anonymous":"ABC3","energy":-33.72539924,"energy_per_atom":-6.7450798480000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.66439924,"band_gap":1.5367000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003027,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.985000Z","spacegroup":221},{"id":"mp-984723","created_at":"2022-09-04T14:46:25.362300Z","structure_string":"Dy1 Al1 O3\n1.0\n3.711247 0.000000 0.000000\n0.000000 3.711247 0.000000\n0.000000 0.000000 3.711247\nDy Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Al\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":["Dy","Al","O"],"chemical_system":"Al-Dy-O","density":7.7146473955470825,"density_atomic":0.09781611858698387,"volume":51.11631980728927,"volume_molar":6.1565934602534425,"formula_full":"Dy1 Al1 O3","formula_reduced":"DyAlO3","formula_anonymous":"ABC3","energy":-41.292982550000005,"energy_per_atom":-8.25859651,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.23198255,"band_gap":2.9483000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001489,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.290000Z","spacegroup":221},{"id":"mp-1205745","created_at":"2022-09-04T14:42:40.842843Z","structure_string":"Er4 Mg2 Cu4\n1.0\n0.000000 0.000000 3.581666\n7.642212 0.000000 0.000000\n0.000000 7.642212 0.000000\nEr Mg Cu\n4 2 4\ndirect\n0.500000 0.174607 0.674607 Er\n0.500000 0.825393 0.325393 Er\n0.500000 0.325393 0.174607 Er\n0.500000 0.674607 0.825393 Er\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.619153 0.119153 Cu\n0.000000 0.380847 0.880847 Cu\n0.000000 0.880847 0.619153 Cu\n0.000000 0.119153 0.380847 Cu\n","nsites":10,"nelements":3,"elements":["Er","Mg","Cu"],"chemical_system":"Cu-Er-Mg","density":7.714648662012977,"density_atomic":0.047805377661363564,"volume":209.1814872970249,"volume_molar":12.597203608888357,"formula_full":"Er4 Mg2 Cu4","formula_reduced":"Er2MgCu2","formula_anonymous":"AB2C2","energy":-40.27298218,"energy_per_atom":-4.027298218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.27298218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5391771,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.639000Z","spacegroup":127},{"id":"mp-1836","created_at":"2022-09-04T14:48:16.162498Z","structure_string":"Tl4 Se4\n1.0\n-4.120747 4.120747 3.591638\n4.120747 -4.120747 3.591638\n4.120747 4.120747 -3.591638\nTl Se\n4 4\ndirect\n0.750000 0.750000 0.000000 Tl\n0.250000 0.250000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.676560 0.176560 0.853119 Se\n0.323440 0.823440 0.146881 Se\n0.823440 0.676560 0.500000 Se\n0.176560 0.323440 0.500000 Se\n","nsites":8,"nelements":2,"elements":["Tl","Se"],"chemical_system":"Se-Tl","density":7.714674112607663,"density_atomic":0.03279333122731798,"volume":243.95203843565983,"volume_molar":18.363918926855924,"formula_full":"Tl4 Se4","formula_reduced":"TlSe","formula_anonymous":"AB","energy":-27.52363981,"energy_per_atom":-3.44045497625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.63563981,"band_gap":0.1703000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001231,"is_theoretical":false,"updated_at":"2021-11-28T01:38:50.055000Z","spacegroup":140},{"id":"mp-15842","created_at":"2022-09-04T14:41:22.579422Z","structure_string":"Nb2 Co12 P7\n1.0\n4.420823 -7.657090 0.000000\n4.420823 7.657090 0.000000\n0.000000 0.000000 3.528475\nNb Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.000000 Nb\n0.117427 0.835331 0.000000 Co\n0.390325 0.439881 0.500000 Co\n0.717904 0.882573 0.000000 Co\n0.560119 0.950444 0.500000 Co\n0.212270 0.087056 0.500000 Co\n0.874786 0.787730 0.500000 Co\n0.912944 0.125214 0.500000 Co\n0.935433 0.375220 0.000000 Co\n0.624780 0.560213 0.000000 Co\n0.439787 0.064567 0.000000 Co\n0.049556 0.609675 0.500000 Co\n0.164669 0.282096 0.000000 Co\n0.000000 0.000000 0.000000 P\n0.593158 0.713138 0.500000 P\n0.709236 0.121201 0.000000 P\n0.878799 0.588035 0.000000 P\n0.411965 0.290764 0.000000 P\n0.286862 0.880020 0.500000 P\n0.119980 0.406842 0.500000 P\n","nsites":21,"nelements":3,"elements":["Nb","Co","P"],"chemical_system":"Co-Nb-P","density":7.714728277965091,"density_atomic":0.08790941207292081,"volume":238.88227101985976,"volume_molar":6.850393624524115,"formula_full":"Nb2 Co12 P7","formula_reduced":"Nb2Co12P7","formula_anonymous":"A2B7C12","energy":-156.99370868,"energy_per_atom":-7.475890889523809,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.99370868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1079515,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.115000Z","spacegroup":174},{"id":"mp-1184455","created_at":"2022-09-04T14:39:07.474823Z","structure_string":"Eu1 Cd2 In1\n1.0\n0.000000 3.754073 3.754073\n3.754073 0.000000 3.754073\n3.754073 3.754073 0.000000\nEu Cd In\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Eu","Cd","In"],"chemical_system":"Cd-Eu-In","density":7.714830154981701,"density_atomic":0.0378026160477522,"volume":105.81278277003916,"volume_molar":15.930486801211963,"formula_full":"Eu1 Cd2 In1","formula_reduced":"EuCd2In","formula_anonymous":"ABC2","energy":-16.05684527,"energy_per_atom":-4.0142113175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.05684527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9644095,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.809000Z","spacegroup":225},{"id":"mp-980004","created_at":"2022-09-04T14:48:02.993445Z","structure_string":"Sm2 Ga4 Co2\n1.0\n2.063260 -8.896650 0.000000\n2.063260 8.896650 0.000000\n0.000000 0.000000 4.089138\nSm Ga Co\n2 4 2\ndirect\n0.142505 0.857495 0.000000 Sm\n0.857495 0.142505 0.000000 Sm\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.291949 0.708051 0.500000 Ga\n0.708051 0.291949 0.500000 Ga\n0.426682 0.573318 0.500000 Co\n0.573318 0.426682 0.500000 Co\n","nsites":8,"nelements":3,"elements":["Sm","Ga","Co"],"chemical_system":"Co-Ga-Sm","density":7.7150301336645315,"density_atomic":0.053290250266965655,"volume":150.1212690862358,"volume_molar":11.300642668839357,"formula_full":"Sm2 Ga4 Co2","formula_reduced":"SmGa2Co","formula_anonymous":"ABC2","energy":-40.05691691,"energy_per_atom":-5.00711461375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.05691691,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0091,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.744000Z","spacegroup":65}]}