{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=10161","results":[{"id":"mp-1232205","created_at":"2022-09-04T14:41:04.446086Z","structure_string":"Yb8 Mg4 Se16\n1.0\n8.318715 0.000000 0.000000\n0.000000 8.318715 0.000000\n0.000000 0.000000 9.540641\nYb Mg Se\n8 4 16\ndirect\n0.121588 0.250000 0.625000 Yb\n0.750000 0.121588 0.375000 Yb\n0.878412 0.750000 0.625000 Yb\n0.750000 0.378412 0.875000 Yb\n0.621588 0.750000 0.125000 Yb\n0.250000 0.878412 0.375000 Yb\n0.378412 0.250000 0.125000 Yb\n0.250000 0.621588 0.875000 Yb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.500000 0.250000 Mg\n0.087804 0.199257 0.313013 Se\n0.800743 0.087804 0.686987 Se\n0.912196 0.800743 0.313013 Se\n0.699257 0.412196 0.186987 Se\n0.587804 0.800743 0.436987 Se\n0.300743 0.912196 0.063013 Se\n0.412196 0.199257 0.436987 Se\n0.699257 0.087804 0.063013 Se\n0.587804 0.699257 0.813013 Se\n0.300743 0.587804 0.186987 Se\n0.412196 0.300743 0.813013 Se\n0.199257 0.912196 0.686987 Se\n0.087804 0.300743 0.936987 Se\n0.800743 0.412196 0.563013 Se\n0.912196 0.699257 0.936987 Se\n0.199257 0.587804 0.563013 Se\n","nsites":28,"nelements":3,"elements":["Yb","Mg","Se"],"chemical_system":"Mg-Se-Yb","density":6.9037583133927924,"density_atomic":0.0424099720142044,"volume":660.2220815100266,"volume_molar":14.199822527548477,"formula_full":"Yb8 Mg4 Se16","formula_reduced":"Yb2MgSe4","formula_anonymous":"AB2C4","energy":-118.06813803,"energy_per_atom":-4.216719215357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.51613803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064268,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.790000Z","spacegroup":122},{"id":"mp-1193545","created_at":"2022-09-04T14:41:04.448209Z","structure_string":"Cu4 Sb8 O16\n1.0\n8.945624 0.000000 0.000000\n0.000000 8.945624 0.000000\n0.000000 0.000000 5.892530\nCu Sb O\n4 8 16\ndirect\n0.500000 0.000000 0.267744 Cu\n0.000000 0.500000 0.267744 Cu\n0.000000 0.500000 0.767744 Cu\n0.500000 0.000000 0.767744 Cu\n0.310398 0.346931 0.506670 Sb\n0.810398 0.153069 0.506670 Sb\n0.653069 0.310398 0.006670 Sb\n0.846931 0.810398 0.006670 Sb\n0.689602 0.653069 0.506670 Sb\n0.189602 0.846931 0.506670 Sb\n0.346931 0.689602 0.006670 Sb\n0.153069 0.189602 0.006670 Sb\n0.790879 0.315554 0.274721 O\n0.290879 0.184446 0.274721 O\n0.684446 0.790879 0.774721 O\n0.815554 0.290879 0.774721 O\n0.209121 0.684446 0.274721 O\n0.709121 0.815554 0.274721 O\n0.315554 0.209121 0.774721 O\n0.184446 0.709121 0.774721 O\n0.089894 0.379393 0.518738 O\n0.589894 0.120607 0.518738 O\n0.620607 0.089894 0.018738 O\n0.879393 0.589894 0.018738 O\n0.910106 0.620607 0.518738 O\n0.410106 0.879393 0.518738 O\n0.379393 0.910106 0.018738 O\n0.120607 0.410106 0.018738 O\n","nsites":28,"nelements":3,"elements":["Cu","Sb","O"],"chemical_system":"Cu-O-Sb","density":5.226781678368084,"density_atomic":0.05937928295812216,"volume":471.5449329313606,"volume_molar":10.141821288490764,"formula_full":"Cu4 Sb8 O16","formula_reduced":"Cu(SbO2)2","formula_anonymous":"AB2C4","energy":-170.00863801,"energy_per_atom":-6.071737071785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.01663801,"band_gap":0.4813,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.000024,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.312000Z","spacegroup":106},{"id":"mp-15074","created_at":"2022-09-04T14:41:04.450471Z","structure_string":"Sr3 P6 Ir6\n1.0\n3.391843 -5.874844 0.000000\n3.391843 5.874844 0.000000\n0.000000 0.000000 7.149407\nSr P Ir\n3 6 6\ndirect\n0.000000 0.601263 0.833333 Sr\n0.398737 0.398737 0.500000 Sr\n0.601263 0.000000 0.166667 Sr\n0.877207 0.216282 0.542488 P\n0.216282 0.877207 0.457512 P\n0.122793 0.339075 0.124178 P\n0.783718 0.660925 0.209155 P\n0.339075 0.122793 0.875822 P\n0.660925 0.783718 0.790845 P\n0.870265 0.870265 0.500000 Ir\n0.129735 0.000000 0.166667 Ir\n0.490023 0.490023 0.000000 Ir\n0.000000 0.509977 0.333333 Ir\n0.509977 0.000000 0.666667 Ir\n0.000000 0.129735 0.833333 Ir\n","nsites":15,"nelements":3,"elements":["Sr","P","Ir"],"chemical_system":"Ir-P-Sr","density":9.336427975873827,"density_atomic":0.05264524627624875,"volume":284.92601062761764,"volume_molar":11.439096947898463,"formula_full":"Sr3 P6 Ir6","formula_reduced":"Sr(PIr)2","formula_anonymous":"AB2C2","energy":-104.17519974,"energy_per_atom":-6.945013316,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.17519974,"band_gap":0.4416000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.007000Z","spacegroup":154},{"id":"mp-777622","created_at":"2022-09-04T14:41:04.595930Z","structure_string":"Li4 Fe4 F12\n1.0\n5.272201 0.000000 0.000000\n-2.595091 4.698770 0.000000\n-1.813998 -2.074625 9.670054\nLi Fe F\n4 4 12\ndirect\n0.201878 0.500760 0.929780 Li\n0.968376 0.293553 0.567272 Li\n0.038494 0.726794 0.443453 Li\n0.777830 0.500044 0.067178 Li\n0.577386 0.919301 0.248032 Fe\n0.240137 0.262726 0.251829 Fe\n0.749143 0.741581 0.747992 Fe\n0.426002 0.072407 0.751912 Fe\n0.019458 0.990030 0.621262 F\n0.834199 0.129148 0.859424 F\n0.521937 0.465475 0.881043 F\n0.336754 0.679377 0.630105 F\n0.675437 0.354018 0.639958 F\n0.983088 0.315996 0.375602 F\n0.159909 0.808350 0.862120 F\n0.174077 0.531303 0.119401 F\n0.502270 0.195627 0.140481 F\n0.639471 0.648549 0.360426 F\n0.325274 0.989553 0.365148 F\n0.848880 0.875208 0.137580 F\n","nsites":20,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.3211824743732796,"density_atomic":0.08348817157558898,"volume":239.5548928975201,"volume_molar":7.213166423877951,"formula_full":"Li4 Fe4 F12","formula_reduced":"LiFeF3","formula_anonymous":"ABC3","energy":-119.85632075,"energy_per_atom":-5.9928160375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.28832075,"band_gap":3.0401,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.612000Z","spacegroup":1},{"id":"mp-13227","created_at":"2022-09-04T14:41:04.450835Z","structure_string":"Yb2 Mg4 Cu18\n1.0\n2.488901 -4.310902 0.000000\n2.488901 4.310902 0.000000\n0.000000 0.000000 16.191502\nYb Mg Cu\n2 4 18\ndirect\n0.666667 0.333333 0.250000 Yb\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.467263 Mg\n0.333333 0.666667 0.967263 Mg\n0.666667 0.333333 0.032737 Mg\n0.333333 0.666667 0.532737 Mg\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.168153 0.831847 0.376415 Cu\n0.168153 0.336305 0.376415 Cu\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.168153 0.336305 0.123585 Cu\n0.831847 0.168153 0.623585 Cu\n0.336305 0.168153 0.623585 Cu\n0.663695 0.831847 0.123585 Cu\n0.168153 0.831847 0.123585 Cu\n0.831847 0.663695 0.876415 Cu\n0.831847 0.168153 0.876415 Cu\n0.831847 0.663695 0.623585 Cu\n0.336305 0.168153 0.876415 Cu\n0.663695 0.831847 0.376415 Cu\n","nsites":24,"nelements":3,"elements":["Yb","Mg","Cu"],"chemical_system":"Cu-Mg-Yb","density":7.5852193655916915,"density_atomic":0.06907459319856775,"volume":347.4504718545,"volume_molar":8.718315202650906,"formula_full":"Yb2 Mg4 Cu18","formula_reduced":"YbMg2Cu9","formula_anonymous":"AB2C9","energy":-87.81545239,"energy_per_atom":-3.658977182916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.81545239,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3185208,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.860000Z","spacegroup":194},{"id":"mp-1187177","created_at":"2022-09-04T14:41:04.522358Z","structure_string":"Sr1 F3\n1.0\n-2.013356 2.013356 3.321737\n2.013356 -2.013356 3.321737\n2.013356 2.013356 -3.321737\nSr F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Sr","F"],"chemical_system":"F-Sr","density":4.4585812664241775,"density_atomic":0.07426661154065585,"volume":53.860004072089325,"volume_molar":8.108813146407378,"formula_full":"Sr1 F3","formula_reduced":"SrF3","formula_anonymous":"AB3","energy":-19.92309654,"energy_per_atom":-4.980774135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.53709654,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0033086,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.328000Z","spacegroup":139},{"id":"mp-1198679","created_at":"2022-09-04T14:41:04.529957Z","structure_string":"H10 C24 N36\n1.0\n0.007874 0.739908 -5.199503\n0.007742 -10.960582 1.862889\n-17.222415 0.013506 0.025507\nH C N\n10 24 36\ndirect\n0.106244 0.053922 0.576422 H\n0.359593 0.179552 0.621822 H\n0.880147 0.939276 0.425657 H\n0.628576 0.814510 0.378856 H\n0.774099 0.386471 0.620732 H\n0.207462 0.604341 0.379268 H\n0.113030 0.557633 0.922130 H\n0.369889 0.685457 0.879743 H\n0.878484 0.438172 0.074913 H\n0.626210 0.312436 0.120882 H\n0.058611 0.028184 0.835310 C\n0.341752 0.170659 0.922895 C\n0.395039 0.197568 0.782920 C\n0.696311 0.346937 0.869875 C\n0.733815 0.366573 0.738375 C\n0.071407 0.535708 0.663810 C\n0.340095 0.670398 0.575874 C\n0.738569 0.868693 0.764200 C\n0.696523 0.847623 0.630008 C\n0.633227 0.816351 0.498668 C\n0.350740 0.175681 0.502149 C\n0.286299 0.143853 0.370873 C\n0.243639 0.122510 0.236831 C\n0.643156 0.321189 0.424500 C\n0.584425 0.292276 0.284176 C\n0.910725 0.455273 0.336306 C\n0.247767 0.624254 0.261710 C\n0.286455 0.644510 0.130270 C\n0.587115 0.793417 0.217896 C\n0.642083 0.821138 0.078279 C\n0.922984 0.962607 0.166102 C\n0.633907 0.315981 0.001117 C\n0.397804 0.698756 0.716363 C\n0.351611 0.676850 0.999091 C\n0.187606 0.095409 0.773071 N\n0.129754 0.070019 0.909587 N\n0.480060 0.238084 0.858215 N\n0.523661 0.263184 0.722146 N\n0.772343 0.386194 0.940825 N\n0.824180 0.411012 0.808238 N\n0.854944 0.427597 0.672126 N\n0.190963 0.595130 0.727518 N\n0.133333 0.567196 0.589153 N\n0.419038 0.710011 0.504537 N\n0.477643 0.738741 0.640634 N\n0.526594 0.762618 0.776886 N\n0.849595 0.924389 0.830764 N\n0.821744 0.911370 0.692089 N\n0.773840 0.885971 0.558879 N\n0.718468 0.859369 0.428367 N\n0.267664 0.133702 0.572696 N\n0.209519 0.105749 0.442121 N\n0.160571 0.079891 0.308973 N\n0.132048 0.066714 0.170414 N\n0.564877 0.281948 0.495937 N\n0.504966 0.252595 0.359965 N\n0.455446 0.228268 0.223700 N\n0.849674 0.424183 0.411014 N\n0.790880 0.395711 0.272675 N\n0.126689 0.563273 0.327851 N\n0.157786 0.580050 0.191634 N\n0.211695 0.605995 0.058952 N\n0.457477 0.727401 0.278367 N\n0.502556 0.753264 0.142473 N\n0.794377 0.895337 0.228270 N\n0.853748 0.921718 0.091624 N\n0.566637 0.782589 0.006859 N\n0.716397 0.358435 0.071626 N\n0.418966 0.210048 0.994105 N\n0.274468 0.637076 0.927888 N\n","nsites":70,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.3914929493938688,"density_atomic":0.07308748648398661,"volume":957.7562913637333,"volume_molar":8.239633143382822,"formula_full":"H10 C24 N36","formula_reduced":"H5(C2N3)6","formula_anonymous":"A5B12C18","energy":-563.12155873,"energy_per_atom":-8.044593696142856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-550.12555873,"band_gap":0.0524,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0027722,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.788000Z","spacegroup":2},{"id":"mp-1233180","created_at":"2022-09-04T14:41:04.550562Z","structure_string":"Mg1 Ti4 Cu3 O12\n1.0\n6.112208 -0.027478 -2.135497\n-3.083636 5.483554 -2.147551\n0.024037 0.027478 6.474479\nMg Ti Cu O\n1 4 3 12\ndirect\n0.869356 0.354066 0.484711 Mg\n0.970219 0.976536 0.496368 Ti\n0.974886 0.463521 0.010483 Ti\n0.453038 0.463521 0.488635 Ti\n0.480168 0.976536 0.006317 Ti\n0.487565 0.476672 0.989106 Cu\n0.156754 0.719161 0.562407 Cu\n0.493038 0.981293 0.488255 Cu\n0.801845 0.281016 0.114089 O\n0.183084 0.673140 0.852481 O\n0.820660 0.673140 0.490057 O\n0.296115 0.467276 0.171162 O\n0.493790 0.171993 0.309261 O\n0.120730 0.793199 0.294441 O\n0.681143 0.865939 0.184796 O\n0.498759 0.793199 0.672469 O\n0.166927 0.281016 0.479169 O\n0.681257 0.484039 0.802782 O\n0.862733 0.171993 0.678202 O\n0.299598 0.109825 0.810226 O\n","nsites":20,"nelements":4,"elements":["Mg","Ti","Cu","O"],"chemical_system":"Cu-Mg-O-Ti","density":4.573266322912101,"density_atomic":0.0920477227553094,"volume":217.27859637729475,"volume_molar":6.542411457596474,"formula_full":"Mg1 Ti4 Cu3 O12","formula_reduced":"MgTi4(CuO4)3","formula_anonymous":"AB3C4D12","energy":-154.20286948,"energy_per_atom":-7.7101434740000006,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.95886948,"band_gap":0.0606999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.435000Z","spacegroup":8},{"id":"mp-767641","created_at":"2022-09-04T14:41:04.619209Z","structure_string":"Li2 V4 F14\n1.0\n3.246346 3.689169 0.000000\n-3.246346 3.689169 0.000000\n0.000000 1.808478 10.494576\nLi V F\n2 4 14\ndirect\n0.737038 0.357686 0.015992 Li\n0.357686 0.737038 0.515992 Li\n0.265491 0.282882 0.251957 V\n0.282882 0.265491 0.751957 V\n0.722308 0.728316 0.250597 V\n0.728316 0.722308 0.750597 V\n0.569061 0.061430 0.133013 F\n0.488723 0.993581 0.368553 F\n0.964775 0.036686 0.749724 F\n0.945092 0.448350 0.364875 F\n0.488743 0.565807 0.139823 F\n0.996656 0.493058 0.131699 F\n0.436494 0.509787 0.364539 F\n0.565807 0.488743 0.639823 F\n0.993581 0.488723 0.868553 F\n0.509787 0.436494 0.864539 F\n0.061430 0.569061 0.633013 F\n0.036686 0.964775 0.249724 F\n0.493058 0.996656 0.631699 F\n0.448350 0.945092 0.864875 F\n","nsites":20,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.194774212909832,"density_atomic":0.07956310927707834,"volume":251.3727804471548,"volume_molar":7.569011335426709,"formula_full":"Li2 V4 F14","formula_reduced":"LiV2F7","formula_anonymous":"AB2C7","energy":-129.56079159,"energy_per_atom":-6.478039579500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.29279159,"band_gap":2.6584,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0022264,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.851000Z","spacegroup":9},{"id":"mp-1180710","created_at":"2022-09-04T14:41:04.653764Z","structure_string":"Na24 B52 O90\n1.0\n9.309882 0.000000 -2.540173\n-0.859818 10.237355 -3.151283\n0.006845 0.011093 18.355802\nNa B O\n24 52 90\ndirect\n0.389379 0.309197 0.909799 Na\n0.720347 0.324775 0.752971 Na\n0.589759 0.834124 0.406269 Na\n0.305129 0.197227 0.399466 Na\n0.032624 0.824775 0.752971 Na\n0.816511 0.334124 0.406269 Na\n0.694871 0.797761 0.600534 Na\n0.035056 0.222286 0.911034 Na\n0.504216 0.299181 0.255425 Na\n0.964944 0.311252 0.088966 Na\n0.495784 0.043756 0.744575 Na\n0.479580 0.899397 0.090201 Na\n0.279653 0.571804 0.247029 Na\n0.094337 0.697227 0.399466 Na\n0.520420 0.809197 0.909799 Na\n0.751209 0.799181 0.255425 Na\n0.875979 0.722286 0.911034 Na\n0.905663 0.297761 0.600534 Na\n0.248791 0.543756 0.744575 Na\n0.967376 0.071804 0.247029 Na\n0.410241 0.427855 0.593731 Na\n0.183489 0.927855 0.593731 Na\n0.610621 0.399397 0.090201 Na\n0.124021 0.811252 0.088966 Na\n0.920565 0.015406 0.047419 B\n0.603317 0.230600 0.540330 B\n0.791115 0.854591 0.087344 B\n0.567283 0.037144 0.308385 B\n0.431316 0.162176 0.605968 B\n0.106430 0.433935 0.535000 B\n0.582997 0.586813 0.765619 B\n0.893570 0.898935 0.465000 B\n0.690748 0.793623 0.771051 B\n0.062987 0.190270 0.459670 B\n0.817378 0.321194 0.234381 B\n0.428571 0.933935 0.535000 B\n0.417003 0.821194 0.234381 B\n0.182622 0.086813 0.765619 B\n0.660885 0.072353 0.611333 B\n0.339115 0.461020 0.388667 B\n0.269735 0.152280 0.129384 B\n0.741102 0.537144 0.308385 B\n0.919095 0.087966 0.697031 B\n0.777936 0.587966 0.697031 B\n0.080905 0.390936 0.302969 B\n0.639631 0.118102 0.986288 B\n0.380916 0.598867 0.123064 B\n0.873146 0.467987 0.952581 B\n0.432717 0.728759 0.691615 B\n0.257851 0.975803 0.876936 B\n0.619084 0.475803 0.876936 B\n0.174652 0.662176 0.605968 B\n0.703771 0.267247 0.912656 B\n0.950448 0.572353 0.611333 B\n0.568684 0.556208 0.394032 B\n0.296229 0.354591 0.087344 B\n0.258898 0.228759 0.691615 B\n0.346658 0.618102 0.986288 B\n0.360369 0.131814 0.013712 B\n0.730265 0.022896 0.870616 B\n0.919697 0.522572 0.228949 B\n0.079435 0.967987 0.952581 B\n0.742149 0.098867 0.123064 B\n0.396683 0.690270 0.459670 B\n0.080303 0.293623 0.771051 B\n0.571429 0.398935 0.465000 B\n0.222064 0.890936 0.302969 B\n0.140352 0.522896 0.870616 B\n0.825348 0.056208 0.394032 B\n0.937013 0.730600 0.540330 B\n0.859648 0.652280 0.129384 B\n0.309252 0.022572 0.228949 B\n0.653342 0.631814 0.013712 B\n0.208885 0.767247 0.912656 B\n0.049552 0.961020 0.388667 B\n0.126854 0.515406 0.047419 B\n0.656535 0.714418 0.817344 O\n0.323543 0.803800 0.287194 O\n0.950784 0.597038 0.179122 O\n0.919276 0.174819 0.454687 O\n0.878859 0.783797 0.140391 O\n0.890593 0.887786 0.042800 O\n0.696027 0.107476 0.353372 O\n0.263137 0.002317 0.805197 O\n0.555087 0.902176 0.289633 O\n0.785612 0.023422 0.656322 O\n0.605288 0.333387 0.865689 O\n0.870710 0.523422 0.656322 O\n0.963650 0.303800 0.287194 O\n0.736863 0.197120 0.194803 O\n0.353395 0.812045 0.494074 O\n0.140679 0.312045 0.494074 O\n0.331160 0.738387 0.973409 O\n0.292500 0.588942 0.428157 O\n1.000000 0.046120 1.000000 O\n0.135657 0.088942 0.428157 O\n0.152207 0.387786 0.042800 O\n0.563951 0.551729 0.944642 O\n0.129290 0.867100 0.343678 O\n0.785155 0.723965 0.721270 O\n0.080724 0.720132 0.545313 O\n0.619308 0.107086 0.055358 O\n0.707500 0.160785 0.571843 O\n0.535411 0.674819 0.454687 O\n0.738468 0.143406 0.859609 O\n0.542060 0.502317 0.805197 O\n0.219925 0.618591 0.098061 O\n0.214388 0.367100 0.343678 O\n0.673988 0.008201 0.931186 O\n0.936116 0.223965 0.721270 O\n0.026462 0.903321 0.451744 O\n0.343465 0.897074 0.182656 O\n0.642249 0.238387 0.973409 O\n0.878136 0.118591 0.098061 O\n0.214845 0.002695 0.278730 O\n0.771662 0.917916 0.820878 O\n0.908296 0.983161 0.340612 O\n0.091704 0.642548 0.659388 O\n0.380692 0.051729 0.944642 O\n0.109407 0.844986 0.957200 O\n0.734546 0.402176 0.289633 O\n0.121141 0.643406 0.859609 O\n0.436049 0.607086 0.055358 O\n0.839191 0.397074 0.182656 O\n0.257198 0.508201 0.931186 O\n0.432317 0.483161 0.340612 O\n0.425282 0.403321 0.451744 O\n0.739599 0.967698 0.134311 O\n0.657345 0.607476 0.353372 O\n0.121864 0.020531 0.901939 O\n0.457940 0.697120 0.194803 O\n0.864343 0.660785 0.571843 O\n0.646605 0.317970 0.505926 O\n0.326012 0.077014 0.068814 O\n0.835138 0.603313 0.283502 O\n0.036350 0.016606 0.712806 O\n0.063884 0.502695 0.278730 O\n0.464589 0.220132 0.545313 O\n0.228338 0.097038 0.179122 O\n1.000000 0.546120 1.000000 O\n0.668840 0.764978 0.026591 O\n0.786852 0.970091 0.437084 O\n0.650232 0.470091 0.437084 O\n0.973538 0.451577 0.548256 O\n0.574718 0.951577 0.548256 O\n0.742802 0.577014 0.068814 O\n0.265454 0.112543 0.710367 O\n0.349768 0.033008 0.562916 O\n0.444913 0.612543 0.710367 O\n0.859321 0.817970 0.505926 O\n0.394712 0.467698 0.134311 O\n0.551636 0.819811 0.716498 O\n0.567683 0.142548 0.659388 O\n0.780075 0.520531 0.901939 O\n0.213148 0.533008 0.562916 O\n0.260401 0.833387 0.865689 O\n0.357751 0.264978 0.026591 O\n0.676457 0.516606 0.712806 O\n0.303973 0.754104 0.646628 O\n0.448364 0.103313 0.283502 O\n0.847793 0.344986 0.957200 O\n0.164862 0.319811 0.716498 O\n0.342655 0.254104 0.646628 O\n0.160809 0.214418 0.817344 O\n0.049216 0.417916 0.820878 O\n0.261532 0.283797 0.140391 O\n","nsites":166,"nelements":3,"elements":["Na","B","O"],"chemical_system":"B-Na-O","density":2.4233270237117233,"density_atomic":0.09485752973002784,"volume":1749.9928626904934,"volume_molar":6.348616474769581,"formula_full":"Na24 B52 O90","formula_reduced":"Na12B26O45","formula_anonymous":"A12B26C45","energy":-1280.27449725,"energy_per_atom":-7.712496971385542,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1218.44449725,"band_gap":4.6485,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.276000Z","spacegroup":45},{"id":"mp-1247155","created_at":"2022-09-04T14:41:04.667781Z","structure_string":"Mg2 Al3 W1 S8\n1.0\n6.265655 -0.000093 3.617585\n2.088516 6.033029 3.617500\n0.000063 -0.000063 7.235063\nMg Al W S\n2 3 1 8\ndirect\n0.873532 0.879392 0.873536 Mg\n0.126449 0.120679 0.126438 Mg\n0.500000 0.500005 0.499985 Al\n0.499998 0.499990 0.000006 Al\n0.000003 0.499990 0.500009 Al\n0.500007 0.999983 0.500009 W\n0.740482 0.732168 0.740488 S\n0.259524 0.267817 0.713131 S\n0.261837 0.714503 0.261826 S\n0.713131 0.267820 0.259517 S\n0.738154 0.285508 0.738165 S\n0.286865 0.732161 0.740489 S\n0.259528 0.267806 0.259536 S\n0.740494 0.732173 0.286865 S\n","nsites":14,"nelements":4,"elements":["Mg","Al","W","S"],"chemical_system":"Al-Mg-S-W","density":3.4602949938892027,"density_atomic":0.051189662688653555,"volume":273.4927183472762,"volume_molar":11.764368905159515,"formula_full":"Mg2 Al3 W1 S8","formula_reduced":"Mg2Al3WS8","formula_anonymous":"AB2C3D8","energy":-78.26660995,"energy_per_atom":-5.590472139285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.24260995,"band_gap":0.4428000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.413000Z","spacegroup":166},{"id":"mp-975461","created_at":"2022-09-04T14:41:04.670946Z","structure_string":"Hg3 Sb1\n1.0\n-2.201044 2.201044 5.416847\n2.201044 -2.201044 5.416847\n2.201044 2.201044 -5.416847\nHg Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":2,"elements":["Hg","Sb"],"chemical_system":"Hg-Sb","density":11.44568083727849,"density_atomic":0.038106229801083906,"volume":104.969712849583,"volume_molar":15.803559657924238,"formula_full":"Hg3 Sb1","formula_reduced":"Hg3Sb","formula_anonymous":"AB3","energy":-4.61293899,"energy_per_atom":-1.1532347475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.42093899,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001302,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.832000Z","spacegroup":139}]}