HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=122",
"results": [
{
"id": "mp-766092",
"created_at": "2022-09-04T14:45:29.657301Z",
"structure_string": "Li2 V2 Cr2 P4 O16 F4\n1.0\n5.166984 0.000000 0.000000\n-2.380778 6.958157 0.000000\n-1.284901 -3.122746 9.871418\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.048843 0.128378 0.305183 Li\n0.951157 0.871622 0.694817 Li\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.506097 0.067135 0.822700 P\n0.995727 0.560297 0.319058 P\n0.004273 0.439703 0.680942 P\n0.493903 0.932865 0.177300 P\n0.718166 0.957822 0.835801 O\n0.190557 0.441346 0.342177 O\n0.636038 0.291357 0.892498 O\n0.356817 0.006425 0.671460 O\n0.141062 0.787533 0.392355 O\n0.866298 0.510182 0.170584 O\n0.250601 0.971607 0.885511 O\n0.740981 0.478323 0.386778 O\n0.259019 0.521677 0.613222 O\n0.749399 0.028393 0.114489 O\n0.133702 0.489818 0.829416 O\n0.858938 0.212467 0.607645 O\n0.643183 0.993575 0.328540 O\n0.363962 0.708643 0.107502 O\n0.809443 0.558654 0.657823 O\n0.281834 0.042178 0.164199 O\n0.859383 0.713695 0.972950 F\n0.344332 0.202626 0.466768 F\n0.655668 0.797374 0.533232 F\n0.140617 0.286305 0.027050 F\n",
"nsites": 30,
"nelements": 6,
"elements": [
"Li",
"V",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P-V",
"density": 3.161194113046805,
"density_atomic": 0.08452990327586359,
"volume": 354.90399062796644,
"volume_molar": 7.124272626157782,
"formula_full": "Li2 V2 Cr2 P4 O16 F4",
"formula_reduced": "LiVCrP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -231.47509429,
"energy_per_atom": -7.715836476333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.23709429,
"band_gap": 0.906,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.791000Z",
"spacegroup": 2
},
{
"id": "mp-1198264",
"created_at": "2022-09-04T14:39:28.946840Z",
"structure_string": "Cu2 H28 C4 N20 Cl4 O12\n1.0\n7.986045 0.000000 0.000000\n0.000000 13.140103 0.000000\n-3.401840 0.000000 7.182003\nCu H C N Cl O\n2 28 4 20 4 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263778 0.445733 0.086375 H\n0.736222 0.945733 0.413625 H\n0.736222 0.554267 0.913625 H\n0.263778 0.054267 0.586375 H\n0.257548 0.629824 0.646784 H\n0.742452 0.129824 0.853216 H\n0.742452 0.370176 0.353216 H\n0.257548 0.870176 0.146784 H\n0.087880 0.679863 0.461246 H\n0.912120 0.179863 0.038754 H\n0.912120 0.320137 0.538754 H\n0.087880 0.820137 0.961246 H\n0.414571 0.548829 0.189379 H\n0.585429 0.048829 0.310621 H\n0.585429 0.451171 0.810621 H\n0.414571 0.951171 0.689379 H\n0.347122 0.657047 0.390660 H\n0.652878 0.157047 0.109340 H\n0.652878 0.342953 0.609340 H\n0.347122 0.842953 0.890660 H\n0.458803 0.206681 0.535276 H\n0.541197 0.706681 0.964724 H\n0.541197 0.793319 0.464724 H\n0.458803 0.293319 0.035276 H\n0.439014 0.283065 0.680260 H\n0.560986 0.783065 0.819740 H\n0.560986 0.716935 0.319740 H\n0.439014 0.216935 0.180260 H\n0.219082 0.517372 0.288595 C\n0.780918 0.017372 0.211405 C\n0.780918 0.482628 0.711405 C\n0.219082 0.982628 0.788595 C\n0.167085 0.615425 0.511233 N\n0.832915 0.115425 0.988767 N\n0.832915 0.384575 0.488767 N\n0.167085 0.884575 0.011233 N\n0.267644 0.596661 0.406025 N\n0.732356 0.096661 0.093975 N\n0.732356 0.403339 0.593975 N\n0.267644 0.903339 0.906025 N\n0.302273 0.505159 0.177053 N\n0.697727 0.005159 0.322947 N\n0.697727 0.494841 0.822947 N\n0.302273 0.994841 0.677053 N\n0.086605 0.455488 0.302025 N\n0.913395 0.955488 0.197975 N\n0.913395 0.544512 0.697975 N\n0.086605 0.044512 0.802025 N\n0.026705 0.371725 0.192526 N\n0.973295 0.871725 0.307474 N\n0.973295 0.628275 0.807474 N\n0.026705 0.128275 0.692526 N\n0.681120 0.606557 0.211625 Cl\n0.318880 0.106557 0.288375 Cl\n0.318880 0.393443 0.788375 Cl\n0.681120 0.893443 0.711625 Cl\n0.914634 0.316477 0.220691 O\n0.085366 0.816477 0.279309 O\n0.085366 0.683523 0.779309 O\n0.914634 0.183523 0.720691 O\n0.078994 0.351463 0.068743 O\n0.921006 0.851463 0.431257 O\n0.921006 0.648537 0.931257 O\n0.078994 0.148537 0.568743 O\n0.530504 0.247430 0.647586 O\n0.469496 0.747430 0.852414 O\n0.469496 0.752570 0.352414 O\n0.530504 0.252570 0.147586 O\n",
"nsites": 70,
"nelements": 6,
"elements": [
"Cu",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Cu-H-N-O",
"density": 1.8007454397070983,
"density_atomic": 0.09287994194580426,
"volume": 753.6611084538062,
"volume_molar": 6.483790400637782,
"formula_full": "Cu2 H28 C4 N20 Cl4 O12",
"formula_reduced": "CuH14C2N10(ClO3)2",
"formula_anonymous": "AB2C2D6E10F14",
"energy": -415.39212014,
"energy_per_atom": -5.934173144857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.47212014,
"band_gap": 1.079,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3215072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.540000Z",
"spacegroup": 14
},
{
"id": "mp-1195110",
"created_at": "2022-09-04T14:45:37.217772Z",
"structure_string": "Na2 Fe2 H44 C20 N4 O24\n1.0\n-8.404198 0.033126 0.038591\n0.025931 -9.411327 0.243626\n0.029257 0.854844 12.717646\nNa Fe H C N O\n2 2 44 20 4 24\ndirect\n0.768882 0.745512 0.752808 Na\n0.231118 0.254488 0.247192 Na\n0.265884 0.255805 0.747055 Fe\n0.734116 0.744195 0.252945 Fe\n0.916527 0.187207 0.985953 H\n0.083473 0.812793 0.014047 H\n0.755151 0.127353 0.912621 H\n0.244849 0.872647 0.087379 H\n0.792605 0.187174 0.389787 H\n0.207395 0.812826 0.610213 H\n0.598704 0.215282 0.434188 H\n0.401296 0.784718 0.565812 H\n0.805151 0.378329 0.889583 H\n0.194849 0.621671 0.110417 H\n0.621238 0.350668 0.956936 H\n0.378762 0.649332 0.043064 H\n0.792947 0.407951 0.029611 H\n0.207053 0.592049 0.970389 H\n0.244504 0.975850 0.918749 H\n0.755496 0.024150 0.081251 H\n0.409369 0.857339 0.931140 H\n0.590631 0.142661 0.068860 H\n0.238749 0.801287 0.857400 H\n0.761251 0.198713 0.142600 H\n0.328249 0.564471 0.482682 H\n0.671751 0.435529 0.517318 H\n0.286423 0.568275 0.620917 H\n0.713577 0.431725 0.379083 H\n0.128672 0.586977 0.528431 H\n0.871328 0.413023 0.471569 H\n0.690970 0.215933 0.612855 H\n0.309030 0.784067 0.387145 H\n0.731377 0.051225 0.543355 H\n0.268623 0.948775 0.456645 H\n0.887811 0.180450 0.565691 H\n0.112189 0.819550 0.434309 H\n0.314836 0.304622 0.985530 H\n0.685164 0.695378 0.014470 H\n0.964216 0.059975 0.754646 H\n0.035784 0.940025 0.245354 H\n0.055484 0.490220 0.807010 H\n0.944516 0.509780 0.192990 H\n0.565043 0.433403 0.730247 H\n0.434957 0.566597 0.269753 H\n0.480639 0.000300 0.710391 H\n0.519361 0.999700 0.289609 H\n0.186150 0.234641 0.519483 H\n0.813850 0.765359 0.480517 H\n0.193039 0.259378 0.978332 C\n0.806961 0.740622 0.021668 C\n0.056623 0.995596 0.713169 C\n0.943377 0.004404 0.286831 C\n0.002279 0.454497 0.730724 C\n0.997721 0.545503 0.269276 C\n0.484730 0.502991 0.778460 C\n0.515270 0.497009 0.221540 C\n0.537705 0.058594 0.777770 C\n0.462295 0.941406 0.222230 C\n0.318130 0.240389 0.517373 C\n0.681870 0.759611 0.482627 C\n0.750578 0.342772 0.962163 C\n0.249422 0.657228 0.037837 C\n0.279922 0.865021 0.925800 C\n0.720078 0.134979 0.074200 C\n0.253629 0.610940 0.545467 C\n0.746371 0.389060 0.454533 C\n0.760975 0.164716 0.549682 C\n0.239025 0.835284 0.450318 C\n0.793103 0.191730 0.977910 N\n0.206897 0.808270 0.022090 N\n0.720728 0.232414 0.449653 N\n0.279272 0.767586 0.550347 N\n0.345213 0.449811 0.797718 O\n0.654787 0.550189 0.202282 O\n0.141830 0.231779 0.884195 O\n0.858170 0.768221 0.115805 O\n0.387599 0.263622 0.606332 O\n0.612401 0.736378 0.393668 O\n0.070345 0.344817 0.684873 O\n0.929655 0.655183 0.315127 O\n0.191809 0.056403 0.697217 O\n0.808191 0.943597 0.302783 O\n0.465393 0.170429 0.813633 O\n0.534607 0.829572 0.186367 O\n0.886797 0.519075 0.695322 O\n0.113203 0.480925 0.304678 O\n0.665311 0.012333 0.813908 O\n0.334689 0.987667 0.186092 O\n0.025449 0.869578 0.684435 O\n0.974551 0.130422 0.315565 O\n0.530725 0.623416 0.809565 O\n0.469275 0.376584 0.190435 O\n0.387792 0.224495 0.430526 O\n0.612208 0.775505 0.569474 O\n0.113170 0.237770 0.059098 O\n0.886830 0.762230 0.940902 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
"Na",
"Fe",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Fe-H-N-Na-O",
"density": 1.4538821852755583,
"density_atomic": 0.09527127951922354,
"volume": 1007.648899904083,
"volume_molar": 6.321045324876602,
"formula_full": "Na2 Fe2 H44 C20 N4 O24",
"formula_reduced": "NaFeH22C10(NO6)2",
"formula_anonymous": "ABC2D10E12F22",
"energy": -587.9263495099999,
"energy_per_atom": -6.124232807395832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.48234951,
"band_gap": 2.5615,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9976038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.836000Z",
"spacegroup": 2
},
{
"id": "mp-1307582",
"created_at": "2022-09-04T14:45:43.388131Z",
"structure_string": "Na4 Fe4 H16 S4 O24 F4\n1.0\n-5.454171 0.001086 -5.050860\n5.301696 -0.003464 -9.528658\n0.002644 -7.508830 -0.001253\nNa Fe H S O F\n4 4 16 4 24 4\ndirect\n0.581340 0.714150 0.749859 Na\n0.081000 0.212779 0.749836 Na\n0.418680 0.285833 0.250176 Na\n0.918966 0.787267 0.250169 Na\n0.999897 0.500076 0.499857 Fe\n0.999938 0.500086 0.000147 Fe\n0.500041 0.000076 0.500087 Fe\n0.499921 0.999910 0.000028 Fe\n0.842414 0.033943 0.094089 H\n0.341309 0.535515 0.090939 H\n0.157563 0.965889 0.594036 H\n0.658897 0.464442 0.591105 H\n0.157629 0.966052 0.905915 H\n0.658784 0.464454 0.909064 H\n0.842376 0.034108 0.405982 H\n0.341221 0.535526 0.408903 H\n0.868577 0.937746 0.568909 H\n0.369187 0.437148 0.568160 H\n0.131302 0.062112 0.068941 H\n0.630638 0.562884 0.068092 H\n0.131382 0.062241 0.431105 H\n0.630903 0.562856 0.431799 H\n0.868717 0.937874 0.931065 H\n0.369424 0.437108 0.931949 H\n0.582132 0.229234 0.750068 S\n0.082251 0.730624 0.749829 S\n0.417824 0.770770 0.249941 S\n0.917764 0.269355 0.250171 S\n0.533985 0.373025 0.749877 O\n0.039415 0.874579 0.749669 O\n0.465991 0.626980 0.249981 O\n0.960569 0.125401 0.250334 O\n0.782803 0.179729 0.750305 O\n0.282828 0.677887 0.750049 O\n0.217154 0.820300 0.249677 O\n0.717188 0.322107 0.249966 O\n0.493440 0.188541 0.587872 O\n0.991741 0.691818 0.587595 O\n0.506764 0.811448 0.087785 O\n0.008520 0.308123 0.088125 O\n0.506550 0.811383 0.412138 O\n0.008241 0.308169 0.412420 O\n0.493165 0.188600 0.912208 O\n0.991449 0.691882 0.911867 O\n0.800159 0.961912 0.043738 O\n0.301095 0.461627 0.044753 O\n0.200196 0.037812 0.543668 O\n0.699274 0.538248 0.544668 O\n0.199840 0.038102 0.956251 O\n0.698918 0.538375 0.955255 O\n0.799782 0.962165 0.456336 O\n0.300758 0.461756 0.455317 O\n0.558529 0.921118 0.749979 F\n0.040664 0.426023 0.750300 F\n0.441489 0.078861 0.249947 F\n0.959416 0.573970 0.249699 F\n",
"nsites": 56,
"nelements": 6,
"elements": [
"Na",
"Fe",
"H",
"S",
"O",
"F"
],
"chemical_system": "F-Fe-H-Na-O-S",
"density": 2.5827373757231085,
"density_atomic": 0.09470446905520782,
"volume": 591.3131720041098,
"volume_molar": 6.3588770625907864,
"formula_full": "Na4 Fe4 H16 S4 O24 F4",
"formula_reduced": "NaFeH4SO6F",
"formula_anonymous": "ABCDE4F6",
"energy": -335.91470157000003,
"energy_per_atom": -5.998476813750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.55470157,
"band_gap": 3.6397,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0000385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.263000Z",
"spacegroup": 11
},
{
"id": "mp-1212907",
"created_at": "2022-09-04T14:45:43.305706Z",
"structure_string": "H20 Pb4 C8 S4 Br4 N24\n1.0\n11.785099 0.000000 0.000000\n0.000000 7.767330 0.000000\n0.000000 2.330359 9.713582\nH Pb C S Br N\n20 4 8 4 4 24\ndirect\n0.397378 0.360595 0.054010 H\n0.602622 0.639405 0.945990 H\n0.897378 0.139405 0.945990 H\n0.102622 0.860595 0.054010 H\n0.569033 0.835886 0.845524 H\n0.430967 0.164114 0.154476 H\n0.069033 0.664114 0.154476 H\n0.930967 0.335886 0.845524 H\n0.614654 0.835769 0.213122 H\n0.385346 0.164231 0.786878 H\n0.114654 0.664231 0.786878 H\n0.885346 0.335769 0.213122 H\n0.899742 0.783241 0.058967 H\n0.100258 0.216759 0.941033 H\n0.399742 0.716759 0.941033 H\n0.600258 0.283241 0.058967 H\n0.719736 0.787833 0.096740 H\n0.280264 0.212167 0.903260 H\n0.219736 0.712167 0.903260 H\n0.780264 0.287833 0.096740 H\n0.656947 0.570856 0.649192 Pb\n0.343053 0.429144 0.350808 Pb\n0.156947 0.929144 0.350808 Pb\n0.843053 0.070856 0.649192 Pb\n0.893351 0.874637 0.240676 C\n0.106649 0.125363 0.759324 C\n0.393351 0.625363 0.759324 C\n0.606649 0.374637 0.240676 C\n0.763730 0.910980 0.390568 C\n0.236270 0.089020 0.609432 C\n0.263730 0.589020 0.609432 C\n0.736270 0.410980 0.390568 C\n0.634043 0.919988 0.466485 S\n0.365957 0.080012 0.533515 S\n0.134043 0.580012 0.533515 S\n0.865957 0.419988 0.466485 S\n0.369388 0.815122 0.144963 Br\n0.630612 0.184878 0.855037 Br\n0.869388 0.684878 0.855037 Br\n0.130612 0.315122 0.144963 Br\n0.946689 0.921483 0.344349 N\n0.053311 0.078517 0.655651 N\n0.446689 0.578517 0.655651 N\n0.553311 0.421483 0.344349 N\n0.865692 0.943917 0.437472 N\n0.134308 0.056083 0.562528 N\n0.365692 0.556083 0.562528 N\n0.634308 0.443917 0.437472 N\n0.943599 0.845931 0.123686 N\n0.056401 0.154069 0.876314 N\n0.443599 0.654069 0.876314 N\n0.556401 0.345931 0.123686 N\n0.779782 0.867087 0.264911 N\n0.220218 0.132913 0.735089 N\n0.279782 0.632913 0.735089 N\n0.720218 0.367087 0.264911 N\n0.440235 0.298874 0.140966 N\n0.559765 0.701126 0.859034 N\n0.940235 0.201126 0.859034 N\n0.059765 0.798874 0.140966 N\n0.696109 0.828261 0.181551 N\n0.303891 0.171739 0.818449 N\n0.196109 0.671739 0.818449 N\n0.803891 0.328261 0.181551 N\n",
"nsites": 64,
"nelements": 6,
"elements": [
"H",
"Pb",
"C",
"S",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-Pb-S",
"density": 3.229089508380792,
"density_atomic": 0.07197730328575787,
"volume": 889.169183595458,
"volume_molar": 8.36672184854083,
"formula_full": "H20 Pb4 C8 S4 Br4 N24",
"formula_reduced": "H5PbC2SBrN6",
"formula_anonymous": "ABCD2E5F6",
"energy": -391.50021912,
"energy_per_atom": -6.11719092375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -380.82421912,
"band_gap": 3.042,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.832000Z",
"spacegroup": 14
},
{
"id": "mp-851118",
"created_at": "2022-09-04T14:45:55.154524Z",
"structure_string": "K2 Na4 Li2 Zr4 Si24 O60\n1.0\n5.141790 -9.025529 0.000000\n5.141790 9.025529 0.000000\n0.000000 0.000000 14.662363\nK Na Li Zr Si O\n2 4 2 4 24 60\ndirect\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.187516 0.840297 0.000000 Na\n0.159703 0.812484 0.500000 Na\n0.812484 0.159703 0.000000 Na\n0.840297 0.187516 0.500000 Na\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.168900 0.831100 0.250000 Zr\n0.168900 0.831100 0.750000 Zr\n0.831100 0.168900 0.250000 Zr\n0.831100 0.168900 0.750000 Zr\n0.844013 0.619644 0.391393 Si\n0.844013 0.619644 0.608607 Si\n0.854587 0.730329 0.107681 Si\n0.854587 0.730329 0.892319 Si\n0.271624 0.622209 0.109371 Si\n0.271624 0.622209 0.890629 Si\n0.377791 0.728376 0.390629 Si\n0.377791 0.728376 0.609371 Si\n0.269671 0.145413 0.392319 Si\n0.269671 0.145413 0.607681 Si\n0.619644 0.844013 0.108607 Si\n0.619644 0.844013 0.891393 Si\n0.380356 0.155987 0.108607 Si\n0.380356 0.155987 0.891393 Si\n0.730329 0.854587 0.607681 Si\n0.730329 0.854587 0.392319 Si\n0.622209 0.271624 0.390629 Si\n0.622209 0.271624 0.609371 Si\n0.728376 0.377791 0.890629 Si\n0.728376 0.377791 0.109371 Si\n0.145413 0.269671 0.107681 Si\n0.145413 0.269671 0.892319 Si\n0.155987 0.380356 0.391393 Si\n0.155987 0.380356 0.608607 Si\n0.782572 0.552343 0.130223 O\n0.782572 0.552343 0.869777 O\n0.759646 0.715540 0.377015 O\n0.759646 0.715540 0.622985 O\n0.887675 0.626587 0.500000 O\n0.912344 0.760871 0.000000 O\n0.997307 0.683770 0.336752 O\n0.997307 0.683770 0.663248 O\n0.175725 0.681494 0.160557 O\n0.175725 0.681494 0.839443 O\n0.285201 0.550710 0.362083 O\n0.285201 0.550710 0.637917 O\n0.993228 0.836094 0.172459 O\n0.993228 0.836094 0.827541 O\n0.257764 0.648075 0.000000 O\n0.351925 0.742236 0.500000 O\n0.163906 0.006772 0.327541 O\n0.163906 0.006772 0.672459 O\n0.449290 0.714799 0.137917 O\n0.449290 0.714799 0.862083 O\n0.318506 0.824275 0.660557 O\n0.318506 0.824275 0.339443 O\n0.316230 0.002693 0.163248 O\n0.316230 0.002693 0.836752 O\n0.239129 0.087656 0.500000 O\n0.552343 0.782572 0.369777 O\n0.552343 0.782572 0.630223 O\n0.373413 0.112325 0.000000 O\n0.284460 0.240354 0.122985 O\n0.284460 0.240354 0.877015 O\n0.715540 0.759646 0.122985 O\n0.715540 0.759646 0.877015 O\n0.626587 0.887675 0.000000 O\n0.447657 0.217428 0.369777 O\n0.447657 0.217428 0.630223 O\n0.760871 0.912344 0.500000 O\n0.683770 0.997307 0.163248 O\n0.683770 0.997307 0.836752 O\n0.681494 0.175725 0.339443 O\n0.681494 0.175725 0.660557 O\n0.550710 0.285201 0.137917 O\n0.550710 0.285201 0.862083 O\n0.836094 0.993228 0.327541 O\n0.836094 0.993228 0.672459 O\n0.648075 0.257764 0.500000 O\n0.742236 0.351925 0.000000 O\n0.006772 0.163906 0.172459 O\n0.006772 0.163906 0.827541 O\n0.714799 0.449290 0.362083 O\n0.714799 0.449290 0.637917 O\n0.824275 0.318506 0.160557 O\n0.824275 0.318506 0.839443 O\n0.002693 0.316230 0.336752 O\n0.002693 0.316230 0.663248 O\n0.087656 0.239129 0.000000 O\n0.112325 0.373413 0.500000 O\n0.240354 0.284460 0.377015 O\n0.240354 0.284460 0.622985 O\n0.217428 0.447657 0.130223 O\n0.217428 0.447657 0.869777 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
"K",
"Na",
"Li",
"Zr",
"Si",
"O"
],
"chemical_system": "K-Li-Na-O-Si-Zr",
"density": 2.663617487042451,
"density_atomic": 0.07054240611672839,
"volume": 1360.8835491257025,
"volume_molar": 8.536908636253495,
"formula_full": "K2 Na4 Li2 Zr4 Si24 O60",
"formula_reduced": "KNa2LiZr2(Si2O5)6",
"formula_anonymous": "ABC2D2E12F30",
"energy": -782.2758959600001,
"energy_per_atom": -8.148707249583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -741.05589596,
"band_gap": 4.7587,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.237000Z",
"spacegroup": 66
},
{
"id": "mp-1234759",
"created_at": "2022-09-04T14:45:55.529951Z",
"structure_string": "Mg1 Cu2 B2 H8 Cl2 O8\n1.0\n0.000051 -0.000086 5.253321\n6.642118 0.006717 0.000058\n0.006699 6.631093 -0.000086\nMg Cu B H Cl O\n1 2 2 8 2 8\ndirect\n0.000509 0.000014 0.000030 Mg\n0.596649 0.000007 0.500006 Cu\n0.399791 0.499999 0.999993 Cu\n0.499767 0.500002 0.499997 B\n0.500402 0.999997 0.000000 B\n0.775114 0.641492 0.334355 H\n0.775110 0.358512 0.665661 H\n0.355951 0.185203 0.771864 H\n0.355992 0.814772 0.228124 H\n0.224542 0.334639 0.358524 H\n0.224541 0.665368 0.641463 H\n0.645955 0.771918 0.816083 H\n0.645913 0.228082 0.183936 H\n0.140531 0.000009 0.499979 Cl\n0.859003 0.499987 0.999994 Cl\n0.679378 0.085875 0.150017 O\n0.679398 0.914128 0.850000 O\n0.343471 0.557448 0.677733 O\n0.343475 0.442552 0.322253 O\n0.321541 0.149793 0.913853 O\n0.321555 0.850196 0.086140 O\n0.655699 0.677629 0.442030 O\n0.655714 0.322379 0.557967 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"Mg",
"Cu",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Cl-Cu-H-Mg-O",
"density": 2.7270235407498093,
"density_atomic": 0.09940371954614188,
"volume": 231.3796717568874,
"volume_molar": 6.0582650100981414,
"formula_full": "Mg1 Cu2 B2 H8 Cl2 O8",
"formula_reduced": "MgCu2B2H8(ClO4)2",
"formula_anonymous": "AB2C2D2E8F8",
"energy": -129.14988398,
"energy_per_atom": -5.615212346956522,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.42588398,
"band_gap": 0.8907000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.112000Z",
"spacegroup": 81
},
{
"id": "mp-1199368",
"created_at": "2022-09-04T14:45:58.567090Z",
"structure_string": "Zn2 H20 C4 S4 N16 O12\n1.0\n5.733721 3.889657 -1.295240\n5.733721 -3.889657 -1.295240\n0.161959 0.000000 -14.491486\nZn H C S N O\n2 20 4 4 16 12\ndirect\n0.333687 0.666313 0.250000 Zn\n0.666313 0.333687 0.750000 Zn\n0.734107 0.527871 0.164551 H\n0.472129 0.265893 0.335449 H\n0.265893 0.472129 0.835449 H\n0.527871 0.734107 0.664551 H\n0.688484 0.733533 0.010040 H\n0.266467 0.311516 0.489960 H\n0.311516 0.266467 0.989960 H\n0.733533 0.688484 0.510040 H\n0.479125 0.813539 0.895886 H\n0.186461 0.520875 0.604114 H\n0.520875 0.186461 0.104114 H\n0.813539 0.479125 0.395886 H\n0.647099 0.777308 0.176402 H\n0.222692 0.352901 0.323598 H\n0.352901 0.222692 0.823598 H\n0.777308 0.647099 0.676402 H\n0.219975 0.819768 0.926714 H\n0.180232 0.780025 0.573286 H\n0.780025 0.180232 0.073286 H\n0.819768 0.219975 0.426714 H\n0.381190 0.748968 0.038016 C\n0.251032 0.618810 0.461984 C\n0.618810 0.251032 0.961984 C\n0.748968 0.381190 0.538016 C\n0.174352 0.727450 0.118527 S\n0.272550 0.825648 0.381473 S\n0.825648 0.272550 0.881473 S\n0.727450 0.174352 0.618527 S\n0.607193 0.666621 0.156843 N\n0.333379 0.392807 0.343157 N\n0.392807 0.333379 0.843157 N\n0.666621 0.607193 0.656843 N\n0.567087 0.720411 0.061862 N\n0.279589 0.432913 0.438138 N\n0.432913 0.279589 0.938138 N\n0.720411 0.567087 0.561862 N\n0.359083 0.797377 0.946166 N\n0.202623 0.640917 0.553834 N\n0.640917 0.202623 0.053834 N\n0.797377 0.359083 0.446166 N\n0.885329 0.745595 0.838348 N\n0.254405 0.114671 0.661652 N\n0.114671 0.254405 0.161652 N\n0.745595 0.885329 0.338348 N\n0.703266 0.830496 0.813993 O\n0.169504 0.296734 0.686007 O\n0.296734 0.169504 0.186007 O\n0.830496 0.703266 0.313993 O\n0.913872 0.732795 0.923458 O\n0.267205 0.086128 0.576542 O\n0.086128 0.267205 0.076542 O\n0.732795 0.913872 0.423458 O\n0.038100 0.673632 0.776627 O\n0.326368 0.961900 0.723373 O\n0.961900 0.326368 0.223373 O\n0.673632 0.038100 0.276627 O\n",
"nsites": 58,
"nelements": 6,
"elements": [
"Zn",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S-Zn",
"density": 1.91455036923741,
"density_atomic": 0.0899570186670767,
"volume": 644.7523590644225,
"volume_molar": 6.694464589013818,
"formula_full": "Zn2 H20 C4 S4 N16 O12",
"formula_reduced": "ZnH10C2S2(N4O3)2",
"formula_anonymous": "AB2C2D6E8F10",
"energy": -350.12089858,
"energy_per_atom": -6.036567216896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.08889858,
"band_gap": 3.4822,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009572,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.408000Z",
"spacegroup": 15
},
{
"id": "mp-554918",
"created_at": "2022-09-04T14:45:59.530676Z",
"structure_string": "Ba1 Y6 Si3 B6 O24 F2\n1.0\n5.368644 -9.298764 0.000000\n5.368644 9.298764 0.000000\n0.000000 0.000000 4.749868\nBa Y Si B O F\n1 6 3 6 24 2\ndirect\n0.000000 0.000000 0.004805 Ba\n0.569977 0.784988 0.955088 Y\n0.215012 0.784988 0.955088 Y\n0.215012 0.430023 0.955088 Y\n0.784394 0.215606 0.000915 Y\n0.784394 0.568789 0.000915 Y\n0.431211 0.215606 0.000915 Y\n0.492991 0.507009 0.400733 Si\n0.014018 0.507009 0.400733 Si\n0.492991 0.985982 0.400733 Si\n0.749358 0.749217 0.482566 B\n0.999859 0.250642 0.482566 B\n0.250783 0.250642 0.482566 B\n0.749358 0.000141 0.482566 B\n0.250783 0.000141 0.482566 B\n0.999859 0.749217 0.482566 B\n0.426100 0.852199 0.182495 O\n0.025387 0.633415 0.622873 O\n0.286744 0.143372 0.598231 O\n0.569424 0.138848 0.230268 O\n0.111510 0.888490 0.604451 O\n0.737121 0.998104 0.182042 O\n0.366585 0.391972 0.622873 O\n0.861152 0.430576 0.230268 O\n0.426100 0.573900 0.182495 O\n0.001896 0.739017 0.182042 O\n0.608028 0.974613 0.622873 O\n0.025387 0.391972 0.622873 O\n0.776980 0.888490 0.604451 O\n0.001896 0.262879 0.182042 O\n0.366585 0.974613 0.622873 O\n0.260983 0.262879 0.182042 O\n0.608028 0.633415 0.622873 O\n0.856628 0.713256 0.598231 O\n0.111510 0.223020 0.604451 O\n0.260983 0.998104 0.182042 O\n0.737121 0.739017 0.182042 O\n0.147801 0.573900 0.182495 O\n0.569424 0.430576 0.230268 O\n0.856628 0.143372 0.598231 O\n0.333333 0.666667 0.748924 F\n0.666667 0.333333 0.797980 F\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ba",
"Y",
"Si",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O-Si-Y",
"density": 4.348333227664574,
"density_atomic": 0.08856210326742807,
"volume": 474.2434794392132,
"volume_molar": 6.799907113559781,
"formula_full": "Ba1 Y6 Si3 B6 O24 F2",
"formula_reduced": "BaY6Si3B6(O12F)2",
"formula_anonymous": "AB2C3D6E6F24",
"energy": -367.1668132499999,
"energy_per_atom": -8.742066982142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.75481325,
"band_gap": 5.3308,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001658,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.553000Z",
"spacegroup": 156
},
{
"id": "mp-561162",
"created_at": "2022-09-04T14:46:03.334821Z",
"structure_string": "Co4 B4 H72 Br8 N24 F16\n1.0\n7.683834 0.000000 0.000000\n0.000000 12.439680 0.000000\n0.000000 4.663853 13.172940\nCo B H Br N F\n4 4 72 8 24 16\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.956906 0.226513 0.304600 B\n0.543094 0.726513 0.304600 B\n0.456906 0.273487 0.695400 B\n0.043094 0.773487 0.695400 B\n0.624116 0.842652 0.655505 H\n0.151439 0.105076 0.833023 H\n0.779133 0.025617 0.396694 H\n0.154412 0.816117 0.094872 H\n0.470091 0.680415 0.047570 H\n0.930672 0.714225 0.436966 H\n0.573858 0.431671 0.849914 H\n0.085778 0.337957 0.437738 H\n0.529909 0.319585 0.952430 H\n0.797401 0.419764 0.074409 H\n0.656186 0.313752 0.095182 H\n0.302892 0.588123 0.502080 H\n0.799756 0.467776 0.654202 H\n0.200244 0.532224 0.345798 H\n0.848561 0.894924 0.166977 H\n0.695711 0.087555 0.954495 H\n0.700244 0.967776 0.654202 H\n0.426142 0.568329 0.150086 H\n0.244770 0.359041 0.506838 H\n0.220867 0.974383 0.603306 H\n0.298564 0.407917 0.152389 H\n0.156186 0.186248 0.904818 H\n0.811323 0.405945 0.399541 H\n0.197108 0.088123 0.502080 H\n0.569328 0.214225 0.436966 H\n0.654412 0.683883 0.905128 H\n0.371398 0.398608 0.886532 H\n0.628602 0.601392 0.113468 H\n0.651439 0.394924 0.166977 H\n0.430672 0.785775 0.563034 H\n0.004056 0.573712 0.302813 H\n0.755230 0.640959 0.493162 H\n0.304289 0.912445 0.045505 H\n0.798564 0.092083 0.847611 H\n0.504056 0.926288 0.697187 H\n0.875884 0.342652 0.655505 H\n0.195711 0.412445 0.045505 H\n0.995944 0.426288 0.697187 H\n0.702599 0.919764 0.074409 H\n0.495944 0.073712 0.302813 H\n0.926142 0.931671 0.849914 H\n0.414222 0.837957 0.437738 H\n0.029909 0.180415 0.047570 H\n0.744770 0.140959 0.493162 H\n0.720867 0.525617 0.396694 H\n0.871398 0.101392 0.113468 H\n0.701436 0.592083 0.847611 H\n0.845588 0.183883 0.905128 H\n0.279133 0.474383 0.603306 H\n0.343814 0.686248 0.904818 H\n0.802892 0.911877 0.497920 H\n0.299756 0.032224 0.345798 H\n0.348561 0.605076 0.833023 H\n0.069328 0.285775 0.563034 H\n0.188677 0.594055 0.600459 H\n0.697108 0.411877 0.497920 H\n0.843814 0.813752 0.095182 H\n0.914222 0.662043 0.562262 H\n0.345588 0.316117 0.094872 H\n0.124116 0.657348 0.344495 H\n0.255230 0.859041 0.506838 H\n0.375884 0.157348 0.344495 H\n0.311323 0.094055 0.600459 H\n0.688677 0.905945 0.399541 H\n0.202599 0.580236 0.925591 H\n0.970091 0.819585 0.952430 H\n0.128602 0.898608 0.886532 H\n0.297401 0.080236 0.925591 H\n0.585778 0.162043 0.562262 H\n0.073858 0.068329 0.150086 H\n0.804289 0.587555 0.954495 H\n0.201436 0.907917 0.152389 H\n0.509280 0.129746 0.088630 Br\n0.927781 0.117774 0.676856 Br\n0.009280 0.370254 0.911370 Br\n0.572219 0.617774 0.676856 Br\n0.072219 0.882226 0.323144 Br\n0.490720 0.870254 0.911370 Br\n0.427781 0.382226 0.323144 Br\n0.990720 0.629746 0.088630 Br\n0.504518 0.597087 0.087133 N\n0.685343 0.599473 0.918416 N\n0.285615 0.044398 0.556246 N\n0.590623 0.926898 0.640813 N\n0.388446 0.855481 0.503095 N\n0.090623 0.573102 0.359187 N\n0.829612 0.896913 0.093429 N\n0.814657 0.099473 0.918416 N\n0.888446 0.644519 0.496905 N\n0.495482 0.402913 0.912867 N\n0.004518 0.902913 0.912867 N\n0.170388 0.103087 0.906571 N\n0.185343 0.900527 0.081584 N\n0.409377 0.073102 0.359187 N\n0.329612 0.603087 0.906571 N\n0.314657 0.400527 0.081584 N\n0.785615 0.455602 0.443754 N\n0.909377 0.426898 0.640813 N\n0.714385 0.955602 0.443754 N\n0.670388 0.396913 0.093429 N\n0.214385 0.544398 0.556246 N\n0.611554 0.144519 0.496905 N\n0.111554 0.355481 0.503095 N\n0.995482 0.097087 0.087133 N\n0.797848 0.181497 0.282853 F\n0.570790 0.839365 0.305882 F\n0.010561 0.157362 0.404938 F\n0.415719 0.725646 0.233480 F\n0.510561 0.342638 0.595062 F\n0.584281 0.274354 0.766520 F\n0.915719 0.774354 0.766520 F\n0.202152 0.818503 0.717147 F\n0.084281 0.225646 0.233480 F\n0.702152 0.681497 0.282853 F\n0.429210 0.160635 0.694118 F\n0.489439 0.657362 0.404938 F\n0.070790 0.660635 0.694118 F\n0.297848 0.318503 0.717147 F\n0.989439 0.842638 0.595062 F\n0.929210 0.339365 0.305882 F\n",
"nsites": 128,
"nelements": 6,
"elements": [
"Co",
"B",
"H",
"Br",
"N",
"F"
],
"chemical_system": "B-Br-Co-F-H-N",
"density": 2.150852941238098,
"density_atomic": 0.10165765173885825,
"volume": 1259.1280421154217,
"volume_molar": 5.92394242537678,
"formula_full": "Co4 B4 H72 Br8 N24 F16",
"formula_reduced": "CoBH18Br2(N3F2)2",
"formula_anonymous": "ABC2D4E6F18",
"energy": -671.22451115,
"energy_per_atom": -5.243941493359375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -644.34451115,
"band_gap": 2.331,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051553,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.041000Z",
"spacegroup": 14
},
{
"id": "mp-756734",
"created_at": "2022-09-04T14:46:06.451664Z",
"structure_string": "Na4 Li2 Mn2 P2 C2 O14\n1.0\n0.062763 0.006542 5.176848\n8.898837 -0.187179 0.134908\n-0.142835 6.802836 0.008576\nNa Li Mn P C O\n4 2 2 2 2 14\ndirect\n0.756202 0.086972 0.270536 Na\n0.254578 0.244810 0.984503 Na\n0.746415 0.746391 0.510751 Na\n0.749855 0.747745 0.000640 Na\n0.227467 0.290574 0.451552 Li\n0.235165 0.895260 0.736351 Li\n0.226221 0.644285 0.254455 Mn\n0.785570 0.361134 0.741342 Mn\n0.722251 0.414114 0.248207 P\n0.294745 0.586710 0.748268 P\n0.716351 0.045468 0.752098 C\n0.267506 0.949240 0.264952 C\n0.288758 0.094315 0.266677 O\n0.965319 0.060155 0.758752 O\n0.562614 0.162456 0.732618 O\n0.798629 0.321497 0.057653 O\n0.835891 0.325945 0.423011 O\n0.419592 0.425602 0.266706 O\n0.184610 0.425545 0.728529 O\n0.826114 0.575796 0.249138 O\n0.595544 0.571409 0.746582 O\n0.207142 0.687640 0.576428 O\n0.204028 0.674321 0.939428 O\n0.473127 0.860620 0.262368 O\n0.042279 0.887691 0.264957 O\n0.614025 0.914310 0.763497 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7871009146027435,
"density_atomic": 0.08301515777522572,
"volume": 313.1958150389639,
"volume_molar": 7.254266475413712,
"formula_full": "Na4 Li2 Mn2 P2 C2 O14",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -187.89162858,
"energy_per_atom": -7.226601099230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.93762858,
"band_gap": 3.0672,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.797000Z",
"spacegroup": 1
},
{
"id": "mp-760207",
"created_at": "2022-09-04T14:46:07.523345Z",
"structure_string": "Na4 Li8 Co4 C8 S2 O32\n1.0\n0.000000 6.938815 6.956556\n6.624022 0.000000 6.956556\n6.624022 6.938815 0.000000\nNa Li Co C S O\n4 8 4 8 2 32\ndirect\n0.472072 0.472072 0.027928 Na\n0.222072 0.222072 0.777928 Na\n0.027928 0.027928 0.472072 Na\n0.777928 0.777928 0.222072 Na\n0.943102 0.291736 0.152639 Li\n0.637477 0.097361 0.958264 Li\n0.152639 0.612523 0.943102 Li\n0.958264 0.306898 0.637477 Li\n0.291736 0.943102 0.612523 Li\n0.097361 0.637477 0.306898 Li\n0.612523 0.152639 0.291736 Li\n0.306898 0.958264 0.097361 Li\n0.625000 0.625000 0.125000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n0.625000 0.125000 0.625000 Co\n0.851297 0.461596 0.839288 C\n0.402181 0.410712 0.788404 C\n0.461596 0.851297 0.847819 C\n0.839288 0.847819 0.851297 C\n0.410712 0.402181 0.398703 C\n0.788404 0.398703 0.402181 C\n0.847819 0.839288 0.461596 C\n0.398703 0.788404 0.410712 C\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n0.063959 0.810023 0.060642 O\n0.717836 0.837887 0.997485 O\n0.810023 0.063959 0.065376 O\n0.060642 0.065376 0.063959 O\n0.446792 0.997485 0.837887 O\n0.065376 0.060642 0.810023 O\n0.831727 0.464682 0.982223 O\n0.528632 0.267777 0.785318 O\n0.729662 0.465440 0.818124 O\n0.263226 0.431876 0.784560 O\n0.465440 0.729662 0.986774 O\n0.997485 0.446792 0.717836 O\n0.431876 0.263226 0.520338 O\n0.412113 0.532164 0.803208 O\n0.982223 0.721368 0.831727 O\n0.785318 0.418273 0.528632 O\n0.464682 0.831727 0.721368 O\n0.267777 0.528632 0.418273 O\n0.837887 0.717836 0.446792 O\n0.818124 0.986774 0.729662 O\n0.252515 0.803208 0.532164 O\n0.784560 0.520338 0.263226 O\n0.986774 0.818124 0.465440 O\n0.520338 0.784560 0.431876 O\n0.721368 0.982223 0.464682 O\n0.418273 0.785318 0.267777 O\n0.184624 0.189358 0.439977 O\n0.803208 0.252515 0.412113 O\n0.189358 0.184624 0.186041 O\n0.439977 0.186041 0.184624 O\n0.532164 0.412113 0.252515 O\n0.186041 0.439977 0.189358 O\n",
"nsites": 58,
"nelements": 6,
"elements": [
"Na",
"Li",
"Co",
"C",
"S",
"O"
],
"chemical_system": "C-Co-Li-Na-O-S",
"density": 2.7405739227590287,
"density_atomic": 0.09069777593280882,
"volume": 639.4864637360881,
"volume_molar": 6.639788790919583,
"formula_full": "Na4 Li8 Co4 C8 S2 O32",
"formula_reduced": "Na2Li4Co2C4SO16",
"formula_anonymous": "AB2C2D4E4F16",
"energy": -404.50932899,
"energy_per_atom": -6.974298775689655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.97332899,
"band_gap": 2.6305,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.410000Z",
"spacegroup": 70
}
]
}