{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=80","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=78","results":[{"id":"mp-10497","created_at":"2022-09-04T14:45:11.039175Z","structure_string":"Sr2 C4\n1.0\n2.215047 3.543685 0.000000\n-2.215047 3.543685 0.000000\n0.000000 2.487071 7.497215\nSr C\n2 4\ndirect\n0.179600 0.820400 0.250000 Sr\n0.820400 0.179600 0.750000 Sr\n0.422114 0.123543 0.440563 C\n0.876457 0.577886 0.059437 C\n0.123543 0.422114 0.940563 C\n0.577886 0.876457 0.559437 C\n","nsites":6,"nelements":2,"elements":["Sr","C"],"chemical_system":"C-Sr","density":3.1501871091707656,"density_atomic":0.050978051685986826,"volume":117.69771110435197,"volume_molar":11.813203056670378,"formula_full":"Sr2 C4","formula_reduced":"SrC2","formula_anonymous":"AB2","energy":-40.17205266,"energy_per_atom":-6.6953421099999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.17205266,"band_gap":2.2919,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.120000Z","spacegroup":15},{"id":"mp-1520860","created_at":"2022-09-04T14:45:52.966239Z","structure_string":"K4 La4 Tb4 Bi4 O24\n1.0\n8.600880 0.000000 0.000000\n0.000000 8.484848 0.000000\n0.000000 0.000000 8.598177\nK La Tb Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.500000 La\n-0.000000 0.500000 0.000000 La\n-0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.993135 0.207410 0.260934 O\n0.006865 0.792590 0.260934 O\n0.006865 0.207410 0.739066 O\n0.993135 0.792590 0.739066 O\n0.274908 0.993307 0.209983 O\n0.274908 0.006693 0.790017 O\n0.725093 0.006693 0.209983 O\n0.725093 0.993307 0.790017 O\n0.189030 0.282417 0.994003 O\n0.810970 0.282417 0.005997 O\n0.189030 0.717583 0.005997 O\n0.810970 0.717583 0.994003 O\n0.506865 0.292590 0.239066 O\n0.493135 0.707410 0.239066 O\n0.493135 0.292590 0.760934 O\n0.506865 0.707410 0.760934 O\n0.225093 0.506693 0.290017 O\n0.225093 0.493307 0.709983 O\n0.774907 0.493307 0.290017 O\n0.774907 0.506693 0.709983 O\n0.310970 0.217583 0.505997 O\n0.689030 0.217583 0.494003 O\n0.310970 0.782417 0.494003 O\n0.689030 0.782417 0.505997 O\n","nsites":40,"nelements":5,"elements":["K","La","Tb","Bi","O"],"chemical_system":"Bi-K-La-O-Tb","density":6.794963584124878,"density_atomic":0.06374801337992843,"volume":627.470534047957,"volume_molar":9.446789696972925,"formula_full":"K4 La4 Tb4 Bi4 O24","formula_reduced":"KLaTbBiO6","formula_anonymous":"ABCDE6","energy":-284.38101576,"energy_per_atom":-7.109525394,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.89301576,"band_gap":1.7048,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.754000Z","spacegroup":48},{"id":"mp-7991","created_at":"2022-09-04T14:42:57.129866Z","structure_string":"B2 N2\n1.0\n1.255800 -2.175109 0.000000\n1.255800 2.175109 0.000000\n0.000000 0.000000 8.267796\nB N\n2 2\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n","nsites":4,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":1.8248172241090572,"density_atomic":0.0885602307115879,"volume":45.16700067129126,"volume_molar":6.800050893738263,"formula_full":"B2 N2","formula_reduced":"BN","formula_anonymous":"AB","energy":-35.87624067,"energy_per_atom":-8.9690601675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.15424067,"band_gap":3.9617,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.991000Z","spacegroup":194},{"id":"mp-761219","created_at":"2022-09-04T14:42:55.601345Z","structure_string":"Na32 Ti4 O24\n1.0\n6.630700 0.000000 0.000000\n0.000000 9.592463 0.000000\n0.000000 0.000000 13.938943\nNa Ti O\n32 4 24\ndirect\n0.512044 0.773838 0.012554 Na\n0.272947 0.524690 0.062950 Na\n0.917755 0.189629 0.071176 Na\n0.940089 0.830533 0.077319 Na\n0.336649 0.011427 0.115424 Na\n0.550465 0.817791 0.219832 Na\n0.579003 0.198558 0.229064 Na\n0.921075 0.007433 0.249725 Na\n0.421075 0.507433 0.250275 Na\n0.079003 0.698558 0.270936 Na\n0.050465 0.317791 0.280168 Na\n0.836649 0.511427 0.384576 Na\n0.440089 0.330533 0.422681 Na\n0.417755 0.689629 0.428824 Na\n0.772947 0.024690 0.437050 Na\n0.012044 0.273838 0.487446 Na\n0.987956 0.773838 0.512554 Na\n0.227053 0.524690 0.562950 Na\n0.582245 0.189629 0.571176 Na\n0.559911 0.830533 0.577319 Na\n0.163351 0.011427 0.615424 Na\n0.949535 0.817791 0.719832 Na\n0.920997 0.198558 0.729064 Na\n0.578925 0.007433 0.749725 Na\n0.078925 0.507433 0.750275 Na\n0.420997 0.698558 0.770936 Na\n0.449535 0.317791 0.780168 Na\n0.663351 0.511427 0.884576 Na\n0.059911 0.330533 0.922681 Na\n0.082245 0.689629 0.928824 Na\n0.727053 0.024690 0.937050 Na\n0.487956 0.273838 0.987446 Na\n0.780764 0.512365 0.123548 Ti\n0.280764 0.012365 0.376452 Ti\n0.719236 0.512365 0.623548 Ti\n0.219236 0.012365 0.876452 Ti\n0.789643 0.627819 0.016816 O\n0.558201 0.396656 0.120807 O\n0.709132 0.005469 0.118369 O\n0.257561 0.758367 0.126155 O\n0.007817 0.403439 0.126154 O\n0.749836 0.616686 0.234456 O\n0.249836 0.116686 0.265544 O\n0.507817 0.903439 0.373846 O\n0.757561 0.258367 0.373845 O\n0.209132 0.505469 0.381631 O\n0.058201 0.896656 0.379193 O\n0.289643 0.127819 0.483184 O\n0.710357 0.627819 0.516816 O\n0.941799 0.396656 0.620807 O\n0.790868 0.005469 0.618369 O\n0.242439 0.758367 0.626155 O\n0.492183 0.403439 0.626154 O\n0.750164 0.616686 0.734456 O\n0.250164 0.116686 0.765544 O\n0.992183 0.903439 0.873846 O\n0.742439 0.258367 0.873845 O\n0.290868 0.505469 0.881631 O\n0.441799 0.896656 0.879193 O\n0.210357 0.127819 0.983184 O\n","nsites":60,"nelements":3,"elements":["Na","Ti","O"],"chemical_system":"Na-O-Ti","density":2.45569397686079,"density_atomic":0.06767556596437871,"volume":886.5829069177083,"volume_molar":8.898545101447363,"formula_full":"Na32 Ti4 O24","formula_reduced":"Na8TiO6","formula_anonymous":"AB6C8","energy":-311.12140146,"energy_per_atom":-5.185356691,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.63340146,"band_gap":2.0926,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.842000Z","spacegroup":33},{"id":"mp-6340","created_at":"2022-09-04T14:44:41.182874Z","structure_string":"Li2 Al2 Si4 O12\n1.0\n4.236365 4.810511 0.000000\n-4.236365 4.810511 0.000000\n0.000000 1.857558 4.937099\nLi Al Si O\n2 2 4 12\ndirect\n0.270500 0.729500 0.750000 Li\n0.729500 0.270500 0.250000 Li\n0.905470 0.094530 0.750000 Al\n0.094530 0.905470 0.250000 Al\n0.800044 0.613277 0.757977 Si\n0.386723 0.199956 0.742023 Si\n0.199956 0.386723 0.242023 Si\n0.613277 0.800044 0.257977 Si\n0.973872 0.807927 0.640959 O\n0.192073 0.026128 0.859041 O\n0.026128 0.192073 0.359041 O\n0.807927 0.973872 0.140959 O\n0.900391 0.367901 0.799850 O\n0.632099 0.099609 0.700150 O\n0.099609 0.632099 0.200150 O\n0.367901 0.900391 0.299850 O\n0.627464 0.662574 0.564831 O\n0.337426 0.372536 0.935169 O\n0.372536 0.337426 0.435169 O\n0.662574 0.627464 0.064831 O\n","nsites":20,"nelements":4,"elements":["Li","Al","Si","O"],"chemical_system":"Al-Li-O-Si","density":3.0712528377681894,"density_atomic":0.09939020370540946,"volume":201.22707524857876,"volume_molar":6.0590888593502665,"formula_full":"Li2 Al2 Si4 O12","formula_reduced":"LiAl(SiO3)2","formula_anonymous":"ABC2D6","energy":-156.27755586,"energy_per_atom":-7.8138777930000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.03355586,"band_gap":5.3733,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.919000Z","spacegroup":15},{"id":"mp-569604","created_at":"2022-09-04T14:45:20.988305Z","structure_string":"Sb4 H72 C12 N12 Cl24\n1.0\n8.155063 0.000000 0.000000\n0.000000 13.092433 0.000000\n0.000000 11.265224 15.299975\nSb H C N Cl\n4 72 12 12 24\ndirect\n0.834455 0.125393 0.277567 Sb\n0.165545 0.874607 0.722433 Sb\n0.665545 0.125393 0.777567 Sb\n0.334455 0.874607 0.222433 Sb\n0.310171 0.294556 0.645730 H\n0.635072 0.686323 0.636345 H\n0.060610 0.563066 0.828659 H\n0.522869 0.344649 0.065685 H\n0.327344 0.766681 0.034432 H\n0.722480 0.587036 0.131058 H\n0.189829 0.294556 0.145730 H\n0.893002 0.104740 0.563421 H\n0.580815 0.470444 0.328934 H\n0.852164 0.721019 0.453873 H\n0.866028 0.995558 0.088533 H\n0.277520 0.412964 0.868942 H\n0.172656 0.766681 0.534432 H\n0.477131 0.655351 0.934315 H\n0.606633 0.141948 0.575366 H\n0.072848 0.533072 0.753128 H\n0.439390 0.563066 0.328659 H\n0.135663 0.211253 0.695720 H\n0.222480 0.412964 0.368942 H\n0.364928 0.313677 0.363655 H\n0.156734 0.439968 0.511569 H\n0.436843 0.867114 0.513565 H\n0.352164 0.278981 0.046127 H\n0.606998 0.104740 0.063421 H\n0.648608 0.092143 0.982685 H\n0.633972 0.995558 0.588533 H\n0.844730 0.636417 0.338774 H\n0.364337 0.211253 0.195720 H\n0.939390 0.436934 0.171341 H\n0.080815 0.529556 0.171066 H\n0.893367 0.141948 0.075366 H\n0.635663 0.788747 0.804280 H\n0.106998 0.895260 0.436579 H\n0.689829 0.705444 0.354270 H\n0.147836 0.278981 0.546127 H\n0.022869 0.655351 0.434315 H\n0.572848 0.466928 0.746872 H\n0.560610 0.436934 0.671341 H\n0.366028 0.004442 0.411467 H\n0.563157 0.132886 0.486435 H\n0.344730 0.363583 0.161226 H\n0.148608 0.907857 0.517315 H\n0.919185 0.470444 0.828934 H\n0.843266 0.560032 0.488431 H\n0.777520 0.587036 0.631058 H\n0.647836 0.721019 0.953873 H\n0.351392 0.907857 0.017315 H\n0.936843 0.132886 0.986435 H\n0.393367 0.858052 0.424634 H\n0.977131 0.344649 0.565685 H\n0.851392 0.092143 0.482685 H\n0.864928 0.686323 0.136345 H\n0.611571 0.660406 0.554231 H\n0.343266 0.439968 0.011569 H\n0.827344 0.233319 0.465568 H\n0.427152 0.533072 0.253128 H\n0.864337 0.788747 0.304280 H\n0.656734 0.560032 0.988431 H\n0.419185 0.529556 0.671066 H\n0.155270 0.363583 0.661226 H\n0.388429 0.339594 0.445769 H\n0.655270 0.636417 0.838774 H\n0.111571 0.339594 0.945769 H\n0.810171 0.705444 0.854270 H\n0.133972 0.004442 0.911467 H\n0.063157 0.867114 0.013565 H\n0.927152 0.466928 0.246872 H\n0.106633 0.858052 0.924634 H\n0.135072 0.313677 0.863655 H\n0.888429 0.660406 0.054231 H\n0.672656 0.233319 0.965568 H\n0.393002 0.895260 0.936579 H\n0.610855 0.655652 0.938748 C\n0.357939 0.901076 0.457219 C\n0.649344 0.617714 0.621616 C\n0.142061 0.901076 0.957219 C\n0.110855 0.344348 0.561252 C\n0.889145 0.655652 0.438748 C\n0.642061 0.098924 0.542781 C\n0.850656 0.617714 0.121616 C\n0.350656 0.382286 0.378384 C\n0.857939 0.098924 0.042781 C\n0.389145 0.344348 0.061252 C\n0.149344 0.382286 0.878384 C\n0.814570 0.134777 0.511726 N\n0.185430 0.865223 0.488274 N\n0.314570 0.865223 0.988274 N\n0.817550 0.700384 0.352829 N\n0.682450 0.700384 0.852829 N\n0.182450 0.299616 0.647171 N\n0.317550 0.299616 0.147171 N\n0.456016 0.494335 0.318116 N\n0.043984 0.494335 0.818116 N\n0.685430 0.134777 0.011726 N\n0.543984 0.505665 0.681884 N\n0.956016 0.505665 0.181884 N\n0.133378 0.733052 0.217480 Cl\n0.060562 0.952228 0.283342 Cl\n0.567703 0.805166 0.173357 Cl\n0.783930 0.948161 0.442137 Cl\n0.839686 0.439786 0.367579 Cl\n0.924596 0.328291 0.111885 Cl\n0.716070 0.948161 0.942137 Cl\n0.283930 0.051839 0.057863 Cl\n0.075404 0.671709 0.888115 Cl\n0.633378 0.266948 0.282520 Cl\n0.160314 0.560214 0.632421 Cl\n0.432297 0.194834 0.826643 Cl\n0.560562 0.047772 0.216658 Cl\n0.932297 0.805166 0.673357 Cl\n0.866622 0.266948 0.782520 Cl\n0.660314 0.439786 0.867579 Cl\n0.939438 0.047772 0.716658 Cl\n0.439438 0.952228 0.783342 Cl\n0.067703 0.194834 0.326643 Cl\n0.366622 0.733052 0.717480 Cl\n0.339686 0.560214 0.132421 Cl\n0.424596 0.671709 0.388115 Cl\n0.575404 0.328291 0.611885 Cl\n0.216070 0.051839 0.557863 Cl\n","nsites":124,"nelements":5,"elements":["Sb","H","C","N","Cl"],"chemical_system":"C-Cl-H-N-Sb","density":1.751130263427312,"density_atomic":0.07590725446530854,"volume":1633.5724546152703,"volume_molar":7.933551018832153,"formula_full":"Sb4 H72 C12 N12 Cl24","formula_reduced":"SbH18C3(NCl2)3","formula_anonymous":"AB3C3D6E18","energy":-596.0729923399999,"energy_per_atom":-4.807040260806451,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.00499234,"band_gap":2.9469000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:05.845000Z","spacegroup":14},{"id":"mp-676861","created_at":"2022-09-04T14:44:49.866500Z","structure_string":"Al1 Sb1 O4\n1.0\n3.171304 -3.236237 0.000000\n3.171304 3.236237 0.000000\n0.000000 0.000000 3.055526\nAl Sb O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Sb\n0.688538 0.688538 0.000000 O\n0.797858 0.202142 0.500000 O\n0.202142 0.797858 0.500000 O\n0.311462 0.311462 0.000000 O\n","nsites":6,"nelements":3,"elements":["Al","Sb","O"],"chemical_system":"Al-O-Sb","density":5.632514526292365,"density_atomic":0.09566588135597337,"volume":62.718284878116165,"volume_molar":6.29497232936325,"formula_full":"Al1 Sb1 O4","formula_reduced":"AlSbO4","formula_anonymous":"ABC4","energy":-42.92662249,"energy_per_atom":-7.154437081666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.17862249,"band_gap":1.6178,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.353000Z","spacegroup":65},{"id":"mp-757179","created_at":"2022-09-04T14:43:37.557284Z","structure_string":"Li6 Cr2 P2 C2 O14\n1.0\n0.406049 4.956599 0.000109\n0.000703 0.000085 6.531188\n8.579172 0.015206 0.000924\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.771792 0.256687 0.115454 Li\n0.228198 0.756747 0.884608 Li\n0.236390 0.477682 0.301716 Li\n0.763669 0.977336 0.698155 Li\n0.773582 0.743377 0.359389 Li\n0.226509 0.243309 0.640561 Li\n0.755818 0.482987 0.746472 Cr\n0.244519 0.983230 0.253585 Cr\n0.727590 0.257518 0.412554 P\n0.272410 0.757443 0.587441 P\n0.713707 0.755236 0.041861 C\n0.286193 0.255258 0.958178 C\n0.966096 0.764253 0.058785 O\n0.033783 0.264173 0.941285 O\n0.372925 0.223323 0.098433 O\n0.627098 0.722958 0.901637 O\n0.535330 0.773153 0.160349 O\n0.464468 0.272974 0.839614 O\n0.841571 0.066851 0.318373 O\n0.158323 0.566733 0.681564 O\n0.835001 0.443044 0.314138 O\n0.165035 0.942929 0.685865 O\n0.176893 0.753043 0.418560 O\n0.823105 0.252859 0.581455 O\n0.414609 0.253525 0.424105 O\n0.585384 0.753368 0.575862 O\n","nsites":26,"nelements":5,"elements":["Li","Cr","P","C","O"],"chemical_system":"C-Cr-Li-O-P","density":2.724415362561516,"density_atomic":0.09363001047403394,"volume":277.6887439012995,"volume_molar":6.431848858620066,"formula_full":"Li6 Cr2 P2 C2 O14","formula_reduced":"Li3CrPCO7","formula_anonymous":"ABCD3E7","energy":-191.21648654,"energy_per_atom":-7.354480251538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.60048654,"band_gap":2.411,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.612000Z","spacegroup":4},{"id":"mp-1204727","created_at":"2022-09-04T14:43:52.201949Z","structure_string":"Cs12 Bi8 Cl36\n1.0\n7.793803 0.000000 0.000000\n0.000000 13.539393 0.000000\n0.000000 0.000000 19.191595\nCs Bi Cl\n12 8 36\ndirect\n0.250000 0.090789 0.589573 Cs\n0.250000 0.409211 0.089573 Cs\n0.750000 0.909211 0.410427 Cs\n0.750000 0.590789 0.910427 Cs\n0.250000 0.747440 0.251189 Cs\n0.250000 0.752560 0.751189 Cs\n0.750000 0.252560 0.748811 Cs\n0.750000 0.247440 0.248811 Cs\n0.250000 0.078222 0.913343 Cs\n0.250000 0.421778 0.413343 Cs\n0.750000 0.921778 0.086657 Cs\n0.750000 0.578222 0.586657 Cs\n0.250000 0.739030 0.501332 Bi\n0.250000 0.760970 0.001332 Bi\n0.750000 0.260970 0.498668 Bi\n0.750000 0.239030 0.998668 Bi\n0.250000 0.421207 0.817985 Bi\n0.250000 0.078793 0.317985 Bi\n0.750000 0.578793 0.182015 Bi\n0.750000 0.921207 0.682015 Bi\n0.250000 0.910903 0.411361 Cl\n0.250000 0.589097 0.911361 Cl\n0.750000 0.089097 0.588639 Cl\n0.750000 0.410903 0.088639 Cl\n0.250000 0.260317 0.742336 Cl\n0.250000 0.239683 0.242336 Cl\n0.750000 0.739683 0.257664 Cl\n0.750000 0.760317 0.757664 Cl\n0.250000 0.916058 0.080570 Cl\n0.250000 0.583942 0.580570 Cl\n0.750000 0.083942 0.919430 Cl\n0.750000 0.416058 0.419430 Cl\n0.990854 0.335496 0.576492 Cl\n0.509146 0.164504 0.076492 Cl\n0.490854 0.664504 0.423508 Cl\n0.009146 0.835496 0.923508 Cl\n0.009146 0.664504 0.423508 Cl\n0.490854 0.835496 0.923508 Cl\n0.509146 0.335496 0.576492 Cl\n0.990854 0.164504 0.076492 Cl\n0.996145 0.508275 0.752207 Cl\n0.503855 0.991725 0.252207 Cl\n0.496145 0.491725 0.247793 Cl\n0.003855 0.008275 0.747793 Cl\n0.003855 0.491725 0.247793 Cl\n0.496145 0.008275 0.747793 Cl\n0.503855 0.508275 0.752207 Cl\n0.996145 0.991725 0.252207 Cl\n0.003508 0.332514 0.910445 Cl\n0.496492 0.167486 0.410445 Cl\n0.503508 0.667486 0.089555 Cl\n0.996492 0.832514 0.589555 Cl\n0.996492 0.667486 0.089555 Cl\n0.503508 0.832514 0.589555 Cl\n0.496492 0.332514 0.910445 Cl\n0.003508 0.167486 0.410445 Cl\n","nsites":56,"nelements":3,"elements":["Cs","Bi","Cl"],"chemical_system":"Bi-Cl-Cs","density":3.7250639648289767,"density_atomic":0.027652113975477437,"volume":2025.1616223505425,"volume_molar":21.778229199187376,"formula_full":"Cs12 Bi8 Cl36","formula_reduced":"Cs3Bi2Cl9","formula_anonymous":"A2B3C9","energy":-213.39248062,"energy_per_atom":-3.8105800110714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.28848062,"band_gap":3.1025,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:24.605000Z","spacegroup":62},{"id":"mp-1516962","created_at":"2022-09-04T14:43:51.974511Z","structure_string":"K4 Sr4 Sm4 W4 O24\n1.0\n8.442447 0.000000 0.000000\n0.000000 8.442408 0.000000\n0.000000 0.000000 8.462310\nK Sr Sm W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.750000 0.250000 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.021471 0.222911 0.266500 O\n0.978529 0.777089 0.266500 O\n0.978529 0.222911 0.733500 O\n0.021471 0.777089 0.733500 O\n0.271881 0.021304 0.224397 O\n0.271881 0.978696 0.775603 O\n0.728119 0.978696 0.224397 O\n0.728119 0.021304 0.775603 O\n0.213872 0.273787 0.020397 O\n0.786128 0.273787 0.979603 O\n0.213872 0.726213 0.979603 O\n0.786128 0.726213 0.020397 O\n0.478529 0.277089 0.233500 O\n0.521471 0.722911 0.233500 O\n0.521471 0.277089 0.766500 O\n0.478529 0.722911 0.766500 O\n0.228119 0.478696 0.275603 O\n0.228119 0.521304 0.724397 O\n0.771881 0.521304 0.275603 O\n0.771881 0.478696 0.724397 O\n0.286128 0.226213 0.479603 O\n0.713872 0.226213 0.520397 O\n0.286128 0.773787 0.520397 O\n0.713872 0.773787 0.479603 O\n","nsites":40,"nelements":5,"elements":["K","Sr","Sm","W","O"],"chemical_system":"K-O-Sm-Sr-W","density":6.133016877742306,"density_atomic":0.06631875749371213,"volume":603.1476087861344,"volume_molar":9.080599497918785,"formula_full":"K4 Sr4 Sm4 W4 O24","formula_reduced":"KSrSmWO6","formula_anonymous":"ABCDE6","energy":-316.83939079,"energy_per_atom":-7.9209847697499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.59939079,"band_gap":2.849,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.942000Z","spacegroup":48},{"id":"mp-1184657","created_at":"2022-09-04T14:42:53.907978Z","structure_string":"Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n","nsites":8,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":10.634970792149755,"density_atomic":0.031928456608478595,"volume":250.560185169602,"volume_molar":18.861358799287597,"formula_full":"Hg8","formula_reduced":"Hg","formula_anonymous":"A","energy":-2.38875985,"energy_per_atom":-0.29859498125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.38875985,"band_gap":0.5904,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.511000Z","spacegroup":223},{"id":"mp-1233241","created_at":"2022-09-04T14:47:59.588337Z","structure_string":"Ca1 Y4 Bi4 O12\n1.0\n6.767138 -0.113330 0.000003\n-0.136945 6.341851 -0.000004\n0.000004 -0.000007 8.118887\nCa Y Bi O\n1 4 4 12\ndirect\n0.825082 0.562900 0.250000 Ca\n0.972664 0.975667 0.750001 Y\n0.394229 0.529446 0.250000 Y\n0.544907 0.487102 0.750000 Y\n0.061459 0.035477 0.249999 Y\n0.054208 0.449315 0.568516 Bi\n0.545461 0.020512 0.490259 Bi\n0.545461 0.020512 0.009741 Bi\n0.054208 0.449315 0.931484 Bi\n0.610085 0.349196 0.419367 O\n0.151864 0.117793 0.537746 O\n0.821053 0.878129 0.082245 O\n0.342904 0.614138 0.952497 O\n0.342905 0.614137 0.547503 O\n0.821052 0.878129 0.417755 O\n0.151863 0.117792 0.962254 O\n0.610085 0.349196 0.080633 O\n0.109775 0.382422 0.250001 O\n0.711473 0.172579 0.750000 O\n0.372496 0.897609 0.250000 O\n0.810929 0.671554 0.750000 O\n","nsites":21,"nelements":4,"elements":["Ca","Y","Bi","O"],"chemical_system":"Bi-Ca-O-Y","density":6.787055758544568,"density_atomic":0.060291878461802825,"volume":348.3056181987146,"volume_molar":9.988311715673701,"formula_full":"Ca1 Y4 Bi4 O12","formula_reduced":"CaY4(BiO3)4","formula_anonymous":"AB4C4D12","energy":-156.30946006,"energy_per_atom":-7.443307621904761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.06546006,"band_gap":1.3867000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.452000Z","spacegroup":6}]}