{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10126","results":[{"id":"mp-1074193","created_at":"2022-09-04T14:45:59.635839Z","structure_string":"Mg8 Si14\n1.0\n3.940863 0.000000 0.000000\n0.000000 6.934624 0.000000\n0.000000 0.360336 14.261517\nMg Si\n8 14\ndirect\n0.500000 0.910986 0.927796 Mg\n0.500000 0.619050 0.501395 Mg\n0.000000 0.792483 0.349774 Mg\n0.000000 0.431342 0.661095 Mg\n0.500000 0.435791 0.846429 Mg\n0.500000 0.507998 0.086876 Mg\n0.000000 0.308205 0.414361 Mg\n0.000000 0.939049 0.580202 Mg\n0.000000 0.618448 0.961021 Si\n0.000000 0.255575 0.977646 Si\n0.500000 0.124030 0.079940 Si\n0.000000 0.860107 0.094629 Si\n0.500000 0.244838 0.557824 Si\n0.500000 0.002276 0.442068 Si\n0.500000 0.804697 0.203561 Si\n0.000000 0.118798 0.817484 Si\n0.500000 0.741865 0.696365 Si\n0.000000 0.302298 0.213365 Si\n0.500000 0.507873 0.300519 Si\n0.000000 0.752346 0.801193 Si\n0.500000 0.105567 0.714118 Si\n0.500000 0.112754 0.275878 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.5036767179602037,"density_atomic":0.05644723861884732,"volume":389.74448597126525,"volume_molar":10.66861888614911,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-84.83878503,"energy_per_atom":-3.8563084104545453,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.83278503,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000758,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.329000Z","spacegroup":6},{"id":"mp-13580","created_at":"2022-09-04T14:45:59.665017Z","structure_string":"Lu4 Ge4 Pt4\n1.0\n4.334222 0.000000 0.000000\n0.000000 6.884304 0.000000\n0.000000 0.000000 7.593784\nLu Ge Pt\n4 4 4\ndirect\n0.750000 0.497397 0.796528 Lu\n0.250000 0.002603 0.296528 Lu\n0.750000 0.997397 0.703472 Lu\n0.250000 0.502603 0.203472 Lu\n0.250000 0.691186 0.590169 Ge\n0.250000 0.191186 0.909831 Ge\n0.750000 0.308814 0.409831 Ge\n0.750000 0.808814 0.090169 Ge\n0.250000 0.793097 0.916092 Pt\n0.250000 0.293097 0.583908 Pt\n0.750000 0.706903 0.416092 Pt\n0.750000 0.206903 0.083908 Pt\n","nsites":12,"nelements":3,"elements":["Lu","Ge","Pt"],"chemical_system":"Ge-Lu-Pt","density":12.977180632472002,"density_atomic":0.052960467999371576,"volume":226.58410043019995,"volume_molar":11.371011223072005,"formula_full":"Lu4 Ge4 Pt4","formula_reduced":"LuGePt","formula_anonymous":"ABC","energy":-74.29438993,"energy_per_atom":-6.1911991608333325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.29438993,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003841,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.789000Z","spacegroup":62},{"id":"mp-1184065","created_at":"2022-09-04T14:45:59.670645Z","structure_string":"Dy3 Ho1\n1.0\n4.997805 0.000000 0.000000\n0.000000 4.997805 0.000000\n0.000000 0.000000 4.997805\nDy Ho\n3 1\ndirect\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Ho\n","nsites":4,"nelements":2,"elements":["Dy","Ho"],"chemical_system":"Dy-Ho","density":8.6785128613323,"density_atomic":0.03204218102952329,"volume":124.83544725979941,"volume_molar":18.79441588090171,"formula_full":"Dy3 Ho1","formula_reduced":"Dy3Ho","formula_anonymous":"AB3","energy":-18.30679888,"energy_per_atom":-4.57669972,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.30679888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001975,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.255000Z","spacegroup":221},{"id":"mp-1234919","created_at":"2022-09-04T14:45:59.688186Z","structure_string":"Mg1 Nb2 Te4 Cl10 O1\n1.0\n7.168899 -0.167715 0.360260\n2.297399 8.063860 1.319266\n-0.309897 -0.153038 9.518408\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.425264 0.167635 0.790469 Mg\n0.519834 0.644089 0.625961 Nb\n0.490423 0.360619 0.352060 Nb\n0.178070 0.898720 0.162733 Te\n0.086239 0.200871 0.988861 Te\n0.900281 0.800123 0.023335 Te\n0.865368 0.068297 0.816521 Te\n0.449882 0.169239 0.191217 Cl\n0.395011 0.455892 0.822707 Cl\n0.790340 0.185663 0.426294 Cl\n0.164047 0.520928 0.299156 Cl\n0.613082 0.518885 0.174582 Cl\n0.329199 0.199598 0.546003 Cl\n0.827700 0.499867 0.729728 Cl\n0.655308 0.811706 0.467621 Cl\n0.198893 0.789760 0.590402 Cl\n0.516650 0.857928 0.817099 Cl\n0.511074 0.500181 0.496680 O\n","nsites":18,"nelements":5,"elements":["Mg","Nb","Te","Cl","O"],"chemical_system":"Cl-Mg-Nb-O-Te","density":3.257289743424712,"density_atomic":0.03236206875605277,"volume":556.2067164397025,"volume_molar":18.60863965587386,"formula_full":"Mg1 Nb2 Te4 Cl10 O1","formula_reduced":"MgNb2Te4Cl10O","formula_anonymous":"ABC2D4E10","energy":-83.74189037,"energy_per_atom":-4.652327242777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.91489037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.599102,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.108000Z","spacegroup":1},{"id":"mp-1037183","created_at":"2022-09-04T14:45:59.600461Z","structure_string":"Mg30 Cu1 Bi1 O32\n1.0\n8.612365 0.000000 0.000000\n0.000000 8.612365 0.000000\n0.000000 0.000000 8.610889\nMg Cu Bi O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.239833 0.239833 0.000000 Mg\n0.760167 0.239833 0.000000 Mg\n0.239833 0.760167 0.000000 Mg\n0.760167 0.760167 0.000000 Mg\n0.248580 0.248580 0.500000 Mg\n0.751420 0.248580 0.500000 Mg\n0.248580 0.751420 0.500000 Mg\n0.751420 0.751420 0.500000 Mg\n0.246718 0.000000 0.248079 Mg\n0.753282 0.000000 0.248079 Mg\n0.241912 0.500000 0.256473 Mg\n0.758088 0.500000 0.256473 Mg\n0.246718 0.000000 0.751921 Mg\n0.753282 0.000000 0.751921 Mg\n0.241912 0.500000 0.743527 Mg\n0.758088 0.500000 0.743527 Mg\n0.000000 0.246718 0.248079 Mg\n0.500000 0.241912 0.256473 Mg\n0.000000 0.753282 0.248079 Mg\n0.500000 0.758088 0.256473 Mg\n0.000000 0.246718 0.751921 Mg\n0.500000 0.241912 0.743527 Mg\n0.000000 0.753282 0.751921 Mg\n0.500000 0.758088 0.743527 Mg\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.263680 O\n0.500000 0.000000 0.253883 O\n0.000000 0.500000 0.253883 O\n0.500000 0.500000 0.266968 O\n0.000000 0.000000 0.736320 O\n0.500000 0.000000 0.746117 O\n0.000000 0.500000 0.746117 O\n0.500000 0.500000 0.733032 O\n0.251442 0.251442 0.248804 O\n0.748558 0.251442 0.248804 O\n0.251442 0.748558 0.248804 O\n0.748558 0.748558 0.248804 O\n0.251442 0.251442 0.751196 O\n0.748558 0.251442 0.751196 O\n0.251442 0.748558 0.751196 O\n0.748558 0.748558 0.751196 O\n0.261767 0.000000 0.000000 O\n0.738233 0.000000 0.000000 O\n0.234530 0.500000 0.000000 O\n0.765470 0.500000 0.000000 O\n0.252104 0.000000 0.500000 O\n0.747896 0.000000 0.500000 O\n0.248918 0.500000 0.500000 O\n0.751082 0.500000 0.500000 O\n0.000000 0.261767 0.000000 O\n0.500000 0.234530 0.000000 O\n0.000000 0.738233 0.000000 O\n0.500000 0.765470 0.000000 O\n0.000000 0.252104 0.500000 O\n0.500000 0.248918 0.500000 O\n0.000000 0.747896 0.500000 O\n0.500000 0.751082 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Cu","Bi","O"],"chemical_system":"Bi-Cu-Mg-O","density":3.9353538006817743,"density_atomic":0.10020447762696742,"volume":638.6940136373314,"volume_molar":6.00985195733339,"formula_full":"Mg30 Cu1 Bi1 O32","formula_reduced":"Mg30CuBiO32","formula_anonymous":"ABC30D32","energy":-398.79966295,"energy_per_atom":-6.23124473359375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-376.81566295,"band_gap":1.2543999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0155951,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.015000Z","spacegroup":123},{"id":"mp-22586","created_at":"2022-09-04T14:45:59.607460Z","structure_string":"Eu2 Cr2 O8\n1.0\n-3.718874 3.718874 3.222176\n3.718874 -3.718874 3.222176\n3.718874 3.718874 -3.222176\nEu Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 Eu\n0.750000 0.250000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.337360 0.515674 0.178314 O\n0.409047 0.087360 0.321686 O\n0.765674 0.087360 0.678314 O\n0.337360 0.159047 0.821686 O\n0.840953 0.662640 0.178314 O\n0.912640 0.234326 0.321686 O\n0.912640 0.590953 0.678314 O\n0.484326 0.662640 0.821686 O\n","nsites":12,"nelements":3,"elements":["Eu","Cr","O"],"chemical_system":"Cr-Eu-O","density":4.992443473365121,"density_atomic":0.06732076893480865,"volume":178.25108343044073,"volume_molar":8.945442625338481,"formula_full":"Eu2 Cr2 O8","formula_reduced":"EuCrO4","formula_anonymous":"ABC4","energy":-109.50954612,"energy_per_atom":-9.12579551,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.01554611999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9990105,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.917000Z","spacegroup":141},{"id":"mp-861258","created_at":"2022-09-04T14:45:59.615472Z","structure_string":"Mn6 Si6 O20\n1.0\n2.475777 7.853992 0.000000\n-2.475777 7.853992 0.000000\n0.000000 0.277916 10.213120\nMn Si O\n6 6 20\ndirect\n0.627393 0.065355 0.773424 Mn\n0.500000 0.000000 0.500000 Mn\n0.934645 0.372607 0.726576 Mn\n0.000000 0.500000 0.000000 Mn\n0.065355 0.627393 0.273424 Mn\n0.372607 0.934645 0.226576 Mn\n0.812796 0.187204 0.250000 Si\n0.552056 0.157358 0.089360 Si\n0.157358 0.552056 0.589360 Si\n0.187204 0.812796 0.750000 Si\n0.842642 0.447944 0.410640 Si\n0.447944 0.842642 0.910640 Si\n0.554618 0.337735 0.152106 O\n0.428781 0.248384 0.940259 O\n0.296373 0.268415 0.175136 O\n0.182021 0.135274 0.392848 O\n0.078684 0.058922 0.664238 O\n0.058922 0.078684 0.164238 O\n0.135274 0.182021 0.892848 O\n0.268415 0.296373 0.675136 O\n0.248384 0.428781 0.440259 O\n0.337735 0.554618 0.652106 O\n0.662265 0.445382 0.347894 O\n0.751616 0.571219 0.559741 O\n0.731585 0.703627 0.324864 O\n0.864726 0.817979 0.107152 O\n0.941078 0.921316 0.835762 O\n0.921316 0.941078 0.335762 O\n0.817979 0.864726 0.607152 O\n0.703627 0.731585 0.824864 O\n0.571219 0.751616 0.059741 O\n0.445382 0.662265 0.847894 O\n","nsites":32,"nelements":3,"elements":["Mn","Si","O"],"chemical_system":"Mn-O-Si","density":3.4204293083034303,"density_atomic":0.08056744093304874,"volume":397.18277792380036,"volume_molar":7.4746581128279574,"formula_full":"Mn6 Si6 O20","formula_reduced":"Mn3Si3O10","formula_anonymous":"A3B3C10","energy":-271.8489957,"energy_per_atom":-8.495281115625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.1009957,"band_gap":1.2803999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":26.0015741,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.951000Z","spacegroup":15},{"id":"mp-1105584","created_at":"2022-09-04T14:45:59.621735Z","structure_string":"V2 Zn4 Bi2 O12\n1.0\n5.798755 0.000000 0.000000\n1.108275 6.847540 0.000000\n1.336013 0.925076 6.841742\nV Zn Bi O\n2 4 2 12\ndirect\n0.773734 0.195987 0.385730 V\n0.226266 0.804013 0.614270 V\n0.726402 0.090660 0.908075 Zn\n0.273598 0.909340 0.091925 Zn\n0.281380 0.388145 0.173345 Zn\n0.718620 0.611855 0.826655 Zn\n0.782244 0.702299 0.284707 Bi\n0.217756 0.297701 0.715293 Bi\n0.865360 0.340296 0.879677 O\n0.134640 0.659704 0.120323 O\n0.862277 0.014470 0.221468 O\n0.137723 0.985530 0.778532 O\n0.359065 0.191100 0.993431 O\n0.640935 0.808900 0.006569 O\n0.337495 0.906246 0.382769 O\n0.662505 0.093754 0.617231 O\n0.011725 0.316776 0.397163 O\n0.988275 0.683224 0.602837 O\n0.445084 0.618310 0.690645 O\n0.554916 0.381690 0.309355 O\n","nsites":20,"nelements":4,"elements":["V","Zn","Bi","O"],"chemical_system":"Bi-O-V-Zn","density":5.950271724644552,"density_atomic":0.07361968667313432,"volume":271.6664645531357,"volume_molar":8.180068446552669,"formula_full":"V2 Zn4 Bi2 O12","formula_reduced":"VZn2BiO6","formula_anonymous":"ABC2D6","energy":-130.11313819,"energy_per_atom":-6.5056569095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.46913819,"band_gap":2.7248,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001892,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.694000Z","spacegroup":2},{"id":"mp-1246469","created_at":"2022-09-04T14:45:59.623398Z","structure_string":"Sr12 Sb8 N16\n1.0\n7.047866 0.000000 0.000000\n0.000000 11.081420 0.000000\n0.000000 0.000000 10.250510\nSr Sb N\n12 8 16\ndirect\n0.481248 0.192780 0.413985 Sr\n0.018752 0.807220 0.413985 Sr\n0.481248 0.307220 0.086015 Sr\n0.018752 0.692780 0.086015 Sr\n0.518752 0.807220 0.586015 Sr\n0.981248 0.192780 0.586015 Sr\n0.518752 0.692780 0.913985 Sr\n0.981248 0.307220 0.913985 Sr\n0.750000 0.500000 0.430048 Sr\n0.750000 0.000000 0.069952 Sr\n0.250000 0.500000 0.569952 Sr\n0.250000 0.000000 0.930048 Sr\n0.750000 0.500000 0.744186 Sb\n0.750000 0.000000 0.755814 Sb\n0.250000 0.500000 0.255814 Sb\n0.250000 0.000000 0.244186 Sb\n0.460896 0.250000 0.750000 Sb\n0.039104 0.750000 0.750000 Sb\n0.539104 0.750000 0.250000 Sb\n0.960896 0.250000 0.250000 Sb\n0.942227 0.405687 0.645661 N\n0.557773 0.594313 0.645661 N\n0.942227 0.094313 0.854339 N\n0.557773 0.905687 0.854339 N\n0.057773 0.594313 0.354339 N\n0.442227 0.405687 0.354339 N\n0.057773 0.905687 0.145661 N\n0.442227 0.094313 0.145661 N\n0.626865 0.372665 0.867528 N\n0.873135 0.627335 0.867528 N\n0.626865 0.127335 0.632472 N\n0.873135 0.872665 0.632472 N\n0.373135 0.627335 0.132472 N\n0.126865 0.372665 0.132472 N\n0.373135 0.872665 0.367528 N\n0.126865 0.127335 0.367528 N\n","nsites":36,"nelements":3,"elements":["Sr","Sb","N"],"chemical_system":"N-Sb-Sr","density":4.666176094366979,"density_atomic":0.04496804152233275,"volume":800.5685544948873,"volume_molar":13.39204589777206,"formula_full":"Sr12 Sb8 N16","formula_reduced":"Sr3(SbN2)2","formula_anonymous":"A2B3C4","energy":-203.67446716,"energy_per_atom":-5.657624087777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.89846716,"band_gap":1.0266000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0227845,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.725000Z","spacegroup":52},{"id":"mp-22724","created_at":"2022-09-04T14:45:59.625571Z","structure_string":"Ce2 Zr2 F14\n1.0\n5.910836 0.000000 0.000000\n0.000000 6.364077 0.000000\n0.000000 1.833943 8.365615\nCe Zr F\n2 2 14\ndirect\n0.241386 0.842281 0.186813 Ce\n0.741386 0.157719 0.813187 Ce\n0.751981 0.311050 0.276366 Zr\n0.251981 0.688950 0.723634 Zr\n0.473897 0.439678 0.730820 F\n0.037130 0.942415 0.712802 F\n0.999987 0.462459 0.741446 F\n0.031834 0.118686 0.283423 F\n0.973897 0.560322 0.269180 F\n0.423771 0.052263 0.975655 F\n0.923771 0.947737 0.024345 F\n0.247384 0.742788 0.481299 F\n0.531834 0.881314 0.716577 F\n0.537130 0.057585 0.287198 F\n0.499987 0.537541 0.258554 F\n0.747384 0.257212 0.518701 F\n0.752432 0.356900 0.032673 F\n0.252432 0.643100 0.967327 F\n","nsites":18,"nelements":3,"elements":["Ce","Zr","F"],"chemical_system":"Ce-F-Zr","density":3.844947499276577,"density_atomic":0.05719924495633266,"volume":314.6894686064764,"volume_molar":10.528357086876678,"formula_full":"Ce2 Zr2 F14","formula_reduced":"CeZrF7","formula_anonymous":"ABC7","energy":-130.94535453,"energy_per_atom":-7.2747419183333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.47735453,"band_gap":0.1854,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999999,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.892000Z","spacegroup":4},{"id":"mp-1111485","created_at":"2022-09-04T14:45:59.632854Z","structure_string":"Na2 Tb1 Cu1 Cl6\n1.0\n0.000000 5.138648 5.138648\n5.138648 0.000000 5.138648\n5.138648 5.138648 0.000000\nNa Tb Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.744096 0.255904 0.255904 Cl\n0.255904 0.255904 0.744096 Cl\n0.255904 0.744096 0.744096 Cl\n0.255904 0.744096 0.255904 Cl\n0.744096 0.255904 0.744096 Cl\n0.744096 0.744096 0.255904 Cl\n","nsites":10,"nelements":4,"elements":["Na","Tb","Cu","Cl"],"chemical_system":"Cl-Cu-Na-Tb","density":2.9442184698125162,"density_atomic":0.03684880398770656,"volume":271.3792285724167,"volume_molar":16.34283913803307,"formula_full":"Na2 Tb1 Cu1 Cl6","formula_reduced":"Na2TbCuCl6","formula_anonymous":"ABC2D6","energy":-41.66803893999999,"energy_per_atom":-4.166803893999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.98403894,"band_gap":1.6434,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012199,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.436000Z","spacegroup":225},{"id":"mp-779249","created_at":"2022-09-04T14:45:59.635762Z","structure_string":"Gd6 Ta2 O14\n1.0\n3.721031 -5.387145 0.000000\n3.721031 5.387145 0.000000\n0.000000 0.000000 7.594552\nGd Ta O\n6 2 14\ndirect\n0.518848 0.059905 0.250000 Gd\n0.940095 0.481152 0.750000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.059905 0.518848 0.250000 Gd\n0.481152 0.940095 0.750000 Gd\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.890532 0.154000 0.250000 O\n0.846000 0.109468 0.750000 O\n0.818734 0.562014 0.036068 O\n0.437986 0.181266 0.963932 O\n0.818734 0.562014 0.463932 O\n0.437986 0.181266 0.536068 O\n0.576275 0.576275 0.750000 O\n0.423725 0.423725 0.250000 O\n0.181266 0.437986 0.536068 O\n0.562014 0.818734 0.036068 O\n0.181266 0.437986 0.963932 O\n0.562014 0.818734 0.463932 O\n0.154000 0.890532 0.250000 O\n0.109468 0.846000 0.750000 O\n","nsites":22,"nelements":3,"elements":["Gd","Ta","O"],"chemical_system":"Gd-O-Ta","density":8.340891752052265,"density_atomic":0.07225511087440163,"volume":304.4767315940014,"volume_molar":8.334553344562798,"formula_full":"Gd6 Ta2 O14","formula_reduced":"Gd3TaO7","formula_anonymous":"AB3C7","energy":-260.73161199000003,"energy_per_atom":-11.851436908636366,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.11361199,"band_gap":2.5573,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.9984566,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.711000Z","spacegroup":63}]}