{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=110","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=108","results":[{"id":"mp-3893","created_at":"2022-09-04T14:42:06.323000Z","structure_string":"Tb1 Co2 B2\n1.0\n-1.777618 1.777618 4.732201\n1.777618 -1.777618 4.732201\n1.777618 1.777618 -4.732201\nTb Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.652948 0.652948 0.000000 B\n0.347052 0.347052 0.000000 B\n","nsites":5,"nelements":3,"elements":["Tb","Co","B"],"chemical_system":"B-Co-Tb","density":8.284529721273003,"density_atomic":0.08359300769654694,"volume":59.81361525057962,"volume_molar":7.2041202080694635,"formula_full":"Tb1 Co2 B2","formula_reduced":"Tb(CoB)2","formula_anonymous":"AB2C2","energy":-34.99493799,"energy_per_atom":-6.998987597999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.99493799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0204846,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.147000Z","spacegroup":139},{"id":"mp-1204650","created_at":"2022-09-04T14:42:06.267258Z","structure_string":"Y2 Al40 Cr4\n1.0\n0.000000 7.216166 7.216166\n7.216166 0.000000 7.216166\n7.216166 7.216166 0.000000\nY Al Cr\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n0.862955 0.862955 0.137045 Al\n0.137045 0.137045 0.862955 Al\n0.862955 0.137045 0.862955 Al\n0.137045 0.862955 0.137045 Al\n0.137045 0.862955 0.862955 Al\n0.862955 0.137045 0.137045 Al\n0.387045 0.387045 0.112955 Al\n0.112955 0.112955 0.387045 Al\n0.387045 0.112955 0.387045 Al\n0.112955 0.387045 0.112955 Al\n0.112955 0.387045 0.387045 Al\n0.387045 0.112955 0.112955 Al\n0.568046 0.298769 0.298769 Al\n0.298769 0.568046 0.834417 Al\n0.298769 0.834417 0.568046 Al\n0.834417 0.298769 0.298769 Al\n0.298769 0.298769 0.568046 Al\n0.568046 0.834417 0.298769 Al\n0.834417 0.568046 0.298769 Al\n0.298769 0.298769 0.834417 Al\n0.298769 0.568046 0.298769 Al\n0.834417 0.298769 0.568046 Al\n0.568046 0.298769 0.834417 Al\n0.298769 0.834417 0.298769 Al\n0.681954 0.951231 0.951231 Al\n0.951231 0.681954 0.415583 Al\n0.951231 0.415583 0.681954 Al\n0.415583 0.951231 0.951231 Al\n0.951231 0.951231 0.681954 Al\n0.681954 0.415583 0.951231 Al\n0.415583 0.681954 0.951231 Al\n0.951231 0.951231 0.415583 Al\n0.951231 0.681954 0.951231 Al\n0.415583 0.951231 0.681954 Al\n0.681954 0.951231 0.415583 Al\n0.951231 0.415583 0.951231 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n","nsites":46,"nelements":3,"elements":["Y","Al","Cr"],"chemical_system":"Al-Cr-Y","density":3.2370862360917525,"density_atomic":0.06120801433435172,"volume":751.5355709584499,"volume_molar":9.83881085751903,"formula_full":"Y2 Al40 Cr4","formula_reduced":"Y(Al10Cr)2","formula_anonymous":"AB2C20","energy":-207.8512015,"energy_per_atom":-4.518504380434782,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.8512015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.3787385,"is_theoretical":false,"updated_at":"2021-11-28T01:35:36.513000Z","spacegroup":227},{"id":"mp-1095934","created_at":"2022-09-04T14:42:06.517645Z","structure_string":"Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Au"],"chemical_system":"Au-Ba-Zn","density":0.5620578178165135,"density_atomic":0.0025211209890151818,"volume":1586.59581092239,"volume_molar":238.86758256502443,"formula_full":"Ba2 Zn1 Au1","formula_reduced":"Ba2ZnAu","formula_anonymous":"ABC2","energy":-4.65063535,"energy_per_atom":-1.1626588375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.65063535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0352582,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.175000Z","spacegroup":71},{"id":"mp-1076429","created_at":"2022-09-04T14:42:06.453208Z","structure_string":"Ba2 Sr6 Co5 Cu3 O24\n1.0\n7.900002 0.000000 0.000000\n0.000000 7.770228 0.000000\n0.000000 0.009221 7.890937\nBa Sr Co Cu O\n2 6 5 3 24\ndirect\n0.248048 0.751631 0.250168 Ba\n0.248048 0.248369 0.749832 Ba\n0.753951 0.752017 0.250097 Sr\n0.753420 0.750902 0.749844 Sr\n0.245507 0.750698 0.749799 Sr\n0.753420 0.249098 0.250156 Sr\n0.753951 0.247983 0.749903 Sr\n0.245507 0.249302 0.250201 Sr\n0.506768 0.000000 0.500000 Co\n0.997167 0.500000 0.000000 Co\n0.997846 0.500000 0.500000 Co\n0.502062 0.500000 0.000000 Co\n0.502783 0.500000 0.500000 Co\n0.999028 0.000000 0.000000 Cu\n0.000649 0.000000 0.500000 Cu\n0.501472 0.000000 0.000000 Cu\n0.994594 0.739033 0.996933 O\n0.995326 0.739798 0.502964 O\n0.505827 0.734235 0.996761 O\n0.505550 0.767051 0.500195 O\n0.994594 0.260967 0.003067 O\n0.995326 0.260202 0.497036 O\n0.505827 0.265765 0.003239 O\n0.505550 0.232949 0.499805 O\n0.750244 0.000000 0.000000 O\n0.754387 0.000000 0.500000 O\n0.249975 0.000000 0.000000 O\n0.247189 0.000000 0.500000 O\n0.748241 0.500000 0.000000 O\n0.750012 0.500000 0.500000 O\n0.251321 0.500000 0.000000 O\n0.250580 0.500000 0.500000 O\n0.988673 0.006177 0.249461 O\n0.988673 0.993823 0.750539 O\n0.507610 0.004708 0.248134 O\n0.507610 0.995292 0.751866 O\n0.991478 0.498995 0.250643 O\n0.991478 0.501005 0.749357 O\n0.505153 0.497653 0.271185 O\n0.505153 0.502347 0.728815 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Co","Cu","O"],"chemical_system":"Ba-Co-Cu-O-Sr","density":5.723853776280451,"density_atomic":0.08257915824109768,"volume":484.38372165548367,"volume_molar":7.292567384154958,"formula_full":"Ba2 Sr6 Co5 Cu3 O24","formula_reduced":"Ba2Sr6Co5(CuO8)3","formula_anonymous":"A2B3C5D6E24","energy":-255.02212342,"energy_per_atom":-6.3755530855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.34412342,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.4143861,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.995000Z","spacegroup":3},{"id":"mp-867349","created_at":"2022-09-04T14:42:06.469152Z","structure_string":"Dy2 Mg1 Tl1\n1.0\n0.000000 3.776874 3.776874\n3.776874 0.000000 3.776874\n3.776874 3.776874 0.000000\nDy Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":3,"elements":["Dy","Mg","Tl"],"chemical_system":"Dy-Mg-Tl","density":8.532709468152788,"density_atomic":0.03712209739606811,"volume":107.75253233465389,"volume_molar":16.22252292414343,"formula_full":"Dy2 Mg1 Tl1","formula_reduced":"Dy2MgTl","formula_anonymous":"ABC2","energy":-14.09704285,"energy_per_atom":-3.5242607125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.09704285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0146725,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.794000Z","spacegroup":225},{"id":"mp-1238831","created_at":"2022-09-04T14:42:07.092781Z","structure_string":"Cr2 Ag1 S4\n1.0\n3.469941 0.000000 0.000000\n0.000000 5.948090 0.000000\n0.000000 0.205691 6.379460\nCr Ag S\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ag\n0.000000 0.330076 0.205954 S\n0.500000 0.825620 0.209019 S\n0.500000 0.174380 0.790981 S\n0.000000 0.669924 0.794046 S\n","nsites":7,"nelements":3,"elements":["Cr","Ag","S"],"chemical_system":"Ag-Cr-S","density":4.289416699923788,"density_atomic":0.05316361443745737,"volume":131.66900095242633,"volume_molar":11.327560820915508,"formula_full":"Cr2 Ag1 S4","formula_reduced":"Cr2AgS4","formula_anonymous":"AB2C4","energy":-44.18405082,"energy_per_atom":-6.312007260000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.17205082,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9996675,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.606000Z","spacegroup":10},{"id":"mp-1206367","created_at":"2022-09-04T14:42:06.481163Z","structure_string":"Ce3 Al1 O1\n1.0\n4.827101 0.000000 0.000000\n0.000000 4.827101 0.000000\n0.000000 0.000000 4.827101\nCe Al O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ce","Al","O"],"chemical_system":"Al-Ce-O","density":6.840366415089138,"density_atomic":0.04445400015413479,"volume":112.47581730920871,"volume_molar":13.546904078641985,"formula_full":"Ce3 Al1 O1","formula_reduced":"Ce3AlO","formula_anonymous":"ABC3","energy":-33.53084433,"energy_per_atom":-6.7061688660000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.84384433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5256043,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.232000Z","spacegroup":221},{"id":"mp-1208407","created_at":"2022-09-04T14:42:06.496238Z","structure_string":"Tb10 Sb2 Pt4\n1.0\n-3.898273 3.898273 6.855757\n3.898273 -3.898273 6.855757\n3.898273 3.898273 -6.855757\nTb Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.796880 0.296880 0.816963 Tb\n0.203120 0.703120 0.183037 Tb\n0.479918 0.979918 0.183037 Tb\n0.296880 0.479918 0.500000 Tb\n0.020082 0.203120 0.500000 Tb\n0.520082 0.020082 0.816963 Tb\n0.703120 0.520082 0.500000 Tb\n0.979918 0.796880 0.500000 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136847 0.636847 0.773694 Pt\n0.863153 0.363153 0.226306 Pt\n0.636847 0.863153 0.500000 Pt\n0.363153 0.136847 0.500000 Pt\n","nsites":16,"nelements":3,"elements":["Tb","Sb","Pt"],"chemical_system":"Pt-Sb-Tb","density":10.412303040003707,"density_atomic":0.038393709602661516,"volume":416.7349330289995,"volume_molar":15.685227664436301,"formula_full":"Tb10 Sb2 Pt4","formula_reduced":"Tb5SbPt2","formula_anonymous":"AB2C5","energy":-94.57609058,"energy_per_atom":-5.91100566125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.57609058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004132,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.666000Z","spacegroup":140},{"id":"mp-1044892","created_at":"2022-09-04T14:42:06.496965Z","structure_string":"Ba1 Zn1 W4 O8\n1.0\n2.880833 -4.989748 0.000000\n2.880833 4.989748 0.000000\n0.000000 0.000000 7.319538\nBa Zn W O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.717251 W\n0.666667 0.333333 0.717251 W\n0.333333 0.666667 0.282749 W\n0.666667 0.333333 0.282749 W\n0.291531 0.291531 0.685855 O\n0.708469 0.000000 0.685855 O\n0.000000 0.708469 0.685855 O\n0.708469 0.708469 0.314145 O\n0.000000 0.291531 0.314145 O\n0.291531 0.000000 0.314145 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Zn","W","O"],"chemical_system":"Ba-O-W-Zn","density":8.412655299737738,"density_atomic":0.06653002309468813,"volume":210.43131129046287,"volume_molar":9.05176412073246,"formula_full":"Ba1 Zn1 W4 O8","formula_reduced":"BaZn(WO2)4","formula_anonymous":"ABC4D8","energy":-113.01169077,"energy_per_atom":-8.07226362642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.76369077,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9928639,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.418000Z","spacegroup":162},{"id":"mp-694894","created_at":"2022-09-04T14:42:06.500027Z","structure_string":"Li2 Mn24 O48\n1.0\n8.278722 0.000000 0.000000\n0.000000 8.280840 0.000000\n0.000000 4.119218 12.438346\nLi Mn O\n2 24 48\ndirect\n0.374764 0.500000 0.750000 Li\n0.625236 0.500000 0.250000 Li\n0.499723 0.165343 0.166903 Mn\n0.249968 0.750735 0.498776 Mn\n0.999000 0.667236 0.666272 Mn\n0.001000 0.667236 0.166272 Mn\n0.751207 0.583853 0.833072 Mn\n0.751207 0.416147 0.666928 Mn\n0.500000 0.500000 0.500000 Mn\n0.750032 0.249265 0.501224 Mn\n0.249968 0.249265 0.001224 Mn\n0.500277 0.165343 0.666903 Mn\n0.999000 0.332764 0.833728 Mn\n0.249578 0.082170 0.833702 Mn\n0.000000 0.000000 0.000000 Mn\n0.750422 0.082170 0.333702 Mn\n0.249578 0.917830 0.666298 Mn\n0.000000 0.000000 0.500000 Mn\n0.750422 0.917830 0.166298 Mn\n0.750032 0.750735 0.998776 Mn\n0.499723 0.834657 0.333097 Mn\n0.500277 0.834657 0.833097 Mn\n0.500000 0.500000 0.000000 Mn\n0.248793 0.583853 0.333072 Mn\n0.248793 0.416147 0.166928 Mn\n0.001000 0.332764 0.333728 Mn\n0.515306 0.073789 0.323184 O\n0.234660 0.979472 0.510395 O\n0.264810 0.813396 0.343403 O\n0.015319 0.760295 0.510293 O\n0.985475 0.573124 0.823102 O\n0.764995 0.646304 0.676894 O\n0.014525 0.573124 0.323102 O\n0.514096 0.594170 0.839668 O\n0.764995 0.353696 0.823106 O\n0.735330 0.478640 0.510841 O\n0.264670 0.478640 0.010841 O\n0.763066 0.315367 0.342338 O\n0.514096 0.405830 0.660332 O\n0.484176 0.259406 0.010762 O\n0.515824 0.259406 0.510762 O\n0.264810 0.186604 0.156597 O\n0.236934 0.315367 0.842338 O\n0.484694 0.073789 0.823184 O\n0.265027 0.146364 0.676966 O\n0.015319 0.239705 0.989707 O\n0.234660 0.020528 0.989605 O\n0.984737 0.093636 0.343629 O\n0.265027 0.853636 0.823034 O\n0.015263 0.093636 0.843629 O\n0.734973 0.146364 0.176966 O\n0.984737 0.906364 0.156371 O\n0.765340 0.979472 0.010395 O\n0.015263 0.906364 0.656371 O\n0.984681 0.760295 0.010293 O\n0.734973 0.853636 0.323034 O\n0.763066 0.684633 0.157662 O\n0.515306 0.926211 0.176816 O\n0.735190 0.813396 0.843403 O\n0.484176 0.740594 0.489238 O\n0.515824 0.740594 0.989238 O\n0.236934 0.684633 0.657662 O\n0.735330 0.521360 0.989159 O\n0.485904 0.594170 0.339668 O\n0.264670 0.521360 0.489159 O\n0.235005 0.646304 0.176894 O\n0.485904 0.405830 0.160332 O\n0.235005 0.353696 0.323106 O\n0.985475 0.426876 0.676898 O\n0.014525 0.426876 0.176898 O\n0.984681 0.239705 0.489707 O\n0.735190 0.186604 0.656597 O\n0.765340 0.020528 0.489605 O\n0.484694 0.926211 0.676816 O\n","nsites":74,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.090193071395238,"density_atomic":0.08678234746190544,"volume":852.7079776504494,"volume_molar":6.939361444035055,"formula_full":"Li2 Mn24 O48","formula_reduced":"LiMn12O24","formula_anonymous":"AB12C24","energy":-595.92289223,"energy_per_atom":-8.053012057162162,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-522.91489223,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":73.9992458,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.480000Z","spacegroup":13},{"id":"mp-1189476","created_at":"2022-09-04T14:42:06.508376Z","structure_string":"Nd4 Mn4 O12\n1.0\n5.499704 0.000000 0.000000\n0.000000 5.657811 0.000000\n0.000000 0.078696 7.899779\nNd Mn O\n4 4 12\ndirect\n0.484360 0.552624 0.248495 Nd\n0.984360 0.947376 0.751505 Nd\n0.515640 0.447376 0.751505 Nd\n0.015640 0.052624 0.248495 Nd\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.594486 0.972998 0.240015 O\n0.094486 0.527002 0.759985 O\n0.405514 0.027002 0.759985 O\n0.905514 0.472998 0.240015 O\n0.213159 0.795209 0.053413 O\n0.713159 0.704791 0.946587 O\n0.786841 0.204791 0.946587 O\n0.286841 0.295209 0.053413 O\n0.287654 0.289681 0.450929 O\n0.787654 0.210319 0.549071 O\n0.712346 0.710319 0.549071 O\n0.212346 0.789681 0.450929 O\n","nsites":20,"nelements":3,"elements":["Nd","Mn","O"],"chemical_system":"Mn-Nd-O","density":6.67907991266509,"density_atomic":0.08136306533622663,"volume":245.81178102559846,"volume_molar":7.401565729012256,"formula_full":"Nd4 Mn4 O12","formula_reduced":"NdMnO3","formula_anonymous":"ABC3","energy":-174.13891182999998,"energy_per_atom":-8.706945591499998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.22291183,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0002291,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.295000Z","spacegroup":14},{"id":"mp-1196326","created_at":"2022-09-04T14:42:06.499064Z","structure_string":"Sm12 Fe26 Sn2\n1.0\n8.045452 0.000000 0.000000\n0.000000 8.045452 0.000000\n-4.022727 -4.022727 11.579078\nSm Fe Sn\n12 26 2\ndirect\n0.605253 0.605253 0.210506 Sm\n0.105253 0.105253 0.210506 Sm\n0.394747 0.394747 0.789494 Sm\n0.894747 0.894747 0.789494 Sm\n0.977645 0.477645 0.629010 Sm\n0.651365 0.151365 0.629010 Sm\n0.151365 0.977645 0.629010 Sm\n0.477645 0.651365 0.629010 Sm\n0.022355 0.522355 0.370990 Sm\n0.348635 0.848635 0.370990 Sm\n0.848635 0.022355 0.370990 Sm\n0.522355 0.348635 0.370990 Sm\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.709397 0.565802 0.000000 Fe\n0.290603 0.434198 0.000000 Fe\n0.790603 0.065802 0.000000 Fe\n0.209397 0.934198 0.000000 Fe\n0.565802 0.290603 0.000000 Fe\n0.434198 0.709397 0.000000 Fe\n0.065802 0.209397 0.000000 Fe\n0.934198 0.790603 0.000000 Fe\n0.119423 0.619423 0.880694 Fe\n0.761271 0.261271 0.880694 Fe\n0.261271 0.119423 0.880694 Fe\n0.619423 0.761271 0.880694 Fe\n0.880577 0.380577 0.119306 Fe\n0.238729 0.738729 0.119306 Fe\n0.738729 0.880577 0.119306 Fe\n0.380577 0.238729 0.119306 Fe\n0.291575 0.791575 0.810361 Fe\n0.518786 0.018786 0.810361 Fe\n0.018786 0.291575 0.810361 Fe\n0.791575 0.518786 0.810361 Fe\n0.708425 0.208425 0.189639 Fe\n0.481214 0.981214 0.189639 Fe\n0.981214 0.708425 0.189639 Fe\n0.208425 0.481214 0.189639 Fe\n0.250000 0.250000 0.500000 Sn\n0.750000 0.750000 0.500000 Sn\n","nsites":40,"nelements":3,"elements":["Sm","Fe","Sn"],"chemical_system":"Fe-Sm-Sn","density":7.7403584800928025,"density_atomic":0.053368514634685935,"volume":749.5055890875909,"volume_molar":11.284070394730481,"formula_full":"Sm12 Fe26 Sn2","formula_reduced":"Sm6Fe13Sn","formula_anonymous":"AB6C13","energy":-289.27773548,"energy_per_atom":-7.231943386999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.27773548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.8658145,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.573000Z","spacegroup":140}]}