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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11496",
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"results": [
{
"id": "mp-1244969",
"created_at": "2022-09-04T14:46:52.262642Z",
"structure_string": "Zn50 S50\n1.0\n12.906070 -0.033669 0.165617\n0.007202 14.154507 -0.369354\n0.160312 -0.363254 12.750577\nZn S\n50 50\ndirect\n0.549594 0.932032 0.357142 Zn\n0.153276 0.632044 0.798111 Zn\n0.341406 0.625766 0.552866 Zn\n0.071867 0.283564 0.446823 Zn\n0.473992 0.498626 0.760052 Zn\n0.099195 0.832612 0.826994 Zn\n0.575421 0.145206 0.237945 Zn\n0.765621 0.702596 0.297757 Zn\n0.073182 0.384560 0.619410 Zn\n0.330279 0.255010 0.206263 Zn\n0.037650 0.006306 0.365770 Zn\n0.035849 0.134441 0.222457 Zn\n0.361091 0.807824 0.733531 Zn\n0.835179 0.985354 0.900034 Zn\n0.130514 0.130966 0.967266 Zn\n0.182496 0.811788 0.241324 Zn\n0.218131 0.101960 0.726617 Zn\n0.598259 0.363356 0.125958 Zn\n0.870024 0.262462 0.931930 Zn\n0.506539 0.013252 0.643626 Zn\n0.732169 0.865483 0.510415 Zn\n0.569241 0.647369 0.364681 Zn\n0.563689 0.554507 0.914393 Zn\n0.483974 0.988022 0.877198 Zn\n0.727054 0.127962 0.789283 Zn\n0.793190 0.260108 0.362225 Zn\n0.955264 0.485346 0.119306 Zn\n0.975055 0.964002 0.185464 Zn\n0.669193 0.627925 0.624701 Zn\n0.850005 0.105439 0.635097 Zn\n0.323611 0.050273 0.283901 Zn\n0.626686 0.679871 0.168605 Zn\n0.876877 0.703942 0.788965 Zn\n0.087340 0.402482 0.285672 Zn\n0.323341 0.586227 0.356492 Zn\n0.993849 0.465471 0.903147 Zn\n0.458012 0.526682 0.127967 Zn\n0.208741 0.867681 0.495853 Zn\n0.695980 0.847489 0.818084 Zn\n0.659021 0.265965 0.641796 Zn\n0.244694 0.473959 0.474598 Zn\n0.241014 0.911939 0.971144 Zn\n0.961144 0.763127 0.079714 Zn\n0.050872 0.623387 0.307528 Zn\n0.207243 0.554284 0.066405 Zn\n0.488084 0.900111 0.106893 Zn\n0.817066 0.402102 0.724472 Zn\n0.407229 0.210734 0.919664 Zn\n0.913825 0.585750 0.549545 Zn\n0.725150 0.894508 0.041336 Zn\n0.074150 0.600564 0.955163 S\n0.803237 0.239973 0.538603 S\n0.150310 0.989891 0.843327 S\n0.009825 0.645541 0.688923 S\n0.700873 0.680949 0.799908 S\n0.204161 0.134700 0.155060 S\n0.535145 0.125407 0.808125 S\n0.623387 0.992837 0.502523 S\n0.939973 0.815536 0.911298 S\n0.710441 0.304416 0.820826 S\n0.117442 0.418526 0.113376 S\n0.053095 0.094427 0.643665 S\n0.260413 0.761973 0.873515 S\n0.520838 0.877216 0.745588 S\n0.637387 0.520538 0.072421 S\n0.109676 0.869905 0.097511 S\n0.915964 0.635771 0.195230 S\n0.435634 0.311496 0.068134 S\n0.241806 0.218459 0.860487 S\n0.773515 0.495072 0.592411 S\n0.230619 0.338250 0.362107 S\n0.849811 0.415385 0.000431 S\n0.520272 0.673768 0.541357 S\n0.052106 0.128137 0.489677 S\n0.294795 0.543534 0.719435 S\n0.982086 0.356260 0.767423 S\n0.383041 0.000020 0.019801 S\n0.426717 0.175894 0.326824 S\n0.072820 0.849144 0.386660 S\n0.612876 0.988820 0.201986 S\n0.786340 0.712512 0.478175 S\n0.836990 0.859283 0.180462 S\n0.349819 0.080838 0.595829 S\n0.487788 0.280805 0.617538 S\n0.212486 0.648601 0.237203 S\n0.288584 0.006527 0.467398 S\n0.370027 0.583105 0.001357 S\n0.245428 0.763250 0.610651 S\n0.040400 0.514877 0.431747 S\n0.522540 0.420358 0.602758 S\n0.587650 0.777055 0.037002 S\n0.873946 0.947157 0.574471 S\n0.698084 0.257521 0.210392 S\n0.351722 0.879220 0.238946 S\n0.249915 0.415699 0.641235 S\n0.475334 0.513566 0.301219 S\n0.940510 0.122652 0.982564 S\n0.863168 0.889496 0.721542 S\n0.429596 0.811408 0.356803 S\n0.963283 0.273095 0.294980 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.4776152100871034,
"density_atomic": 0.04297081952417845,
"volume": 2327.1606431367422,
"volume_molar": 14.01448896410159,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -333.33420456,
"energy_per_atom": -3.3333420456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.18420456,
"band_gap": 0.2203999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.627000Z",
"spacegroup": 1
},
{
"id": "mp-25397",
"created_at": "2022-09-04T14:46:52.264552Z",
"structure_string": "Li8 Ni4 P4 O16 F4\n1.0\n-1.138357 4.964014 1.608016\n-0.012298 0.103949 7.409951\n10.070046 0.401240 3.362507\nLi Ni P O F\n8 4 4 16 4\ndirect\n0.458024 0.112874 0.428564 Li\n0.458091 0.113032 0.928347 Li\n0.829817 0.862877 0.242004 Li\n0.828660 0.862923 0.742179 Li\n0.052349 0.472059 0.257268 Li\n0.052030 0.472267 0.757222 Li\n0.547491 0.704367 0.110734 Li\n0.547588 0.704305 0.610629 Li\n0.000778 0.016959 0.497008 Ni\n0.002759 0.507302 0.502376 Ni\n0.000232 0.017272 0.996899 Ni\n0.003074 0.506896 0.002436 Ni\n0.630478 0.262316 0.170785 P\n0.630472 0.262395 0.670720 P\n0.364934 0.768027 0.326825 P\n0.365228 0.768111 0.826732 P\n0.190663 0.631853 0.356008 O\n0.189320 0.633183 0.855757 O\n0.777389 0.417609 0.141485 O\n0.777306 0.417728 0.641464 O\n0.670541 0.651807 0.339453 O\n0.671045 0.651180 0.840000 O\n0.334909 0.881997 0.428836 O\n0.335171 0.882431 0.928562 O\n0.677164 0.140696 0.073707 O\n0.677392 0.140695 0.573741 O\n0.739791 0.098758 0.316629 O\n0.739888 0.098852 0.816576 O\n0.328298 0.377209 0.158308 O\n0.328265 0.377236 0.658418 O\n0.270129 0.909359 0.177077 O\n0.272774 0.908755 0.676717 O\n0.889592 0.753690 0.077301 F\n0.889611 0.753699 0.577292 F\n0.102783 0.270979 0.432219 F\n0.102695 0.271129 0.931839 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Ni",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O-P",
"density": 3.3316337743661792,
"density_atomic": 0.09679806379266633,
"volume": 371.90826540817085,
"volume_molar": 6.221344233598455,
"formula_full": "Li8 Ni4 P4 O16 F4",
"formula_reduced": "Li2NiPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -237.32305464,
"energy_per_atom": -6.592307073333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.31905464,
"band_gap": 0.3008999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.496000Z",
"spacegroup": 1
},
{
"id": "mp-1245083",
"created_at": "2022-09-04T14:46:30.922829Z",
"structure_string": "Cr24 Fe8 O48\n1.0\n10.715729 -0.466426 0.032857\n-0.456452 8.980461 -0.341514\n0.008871 -0.348438 10.414260\nCr Fe O\n24 8 48\ndirect\n0.347464 0.791813 0.445792 Cr\n0.094229 0.916149 0.442122 Cr\n0.917859 0.893377 0.021699 Cr\n0.673311 0.189980 0.737233 Cr\n0.718503 0.434427 0.056029 Cr\n0.169838 0.066642 0.015448 Cr\n0.146786 0.244114 0.590634 Cr\n0.642273 0.829990 0.991847 Cr\n0.916597 0.525499 0.314582 Cr\n0.852094 0.130443 0.522997 Cr\n0.938325 0.291942 0.866281 Cr\n0.016002 0.973397 0.720388 Cr\n0.564887 0.538266 0.858436 Cr\n0.339995 0.134677 0.743000 Cr\n0.699644 0.488355 0.581889 Cr\n0.197941 0.405623 0.891848 Cr\n0.344572 0.238826 0.313353 Cr\n0.775512 0.762266 0.259719 Cr\n0.115604 0.631861 0.678804 Cr\n0.591694 0.964960 0.416726 Cr\n0.822910 0.177666 0.171893 Cr\n0.127170 0.707864 0.956167 Cr\n0.422589 0.432907 0.562766 Cr\n0.077193 0.211051 0.263794 Cr\n0.376107 0.848956 0.900064 Fe\n0.503822 0.579977 0.305041 Fe\n0.527467 0.163462 0.984505 Fe\n0.372291 0.933282 0.190688 Fe\n0.177587 0.535339 0.411669 Fe\n0.848066 0.749927 0.534973 Fe\n0.599229 0.854927 0.683454 Fe\n0.606466 0.269905 0.320573 Fe\n0.989465 0.193537 0.691038 O\n0.478773 0.798460 0.305259 O\n0.098178 0.252773 0.948395 O\n0.514368 0.098115 0.768523 O\n0.743873 0.106527 0.356046 O\n0.184843 0.046867 0.656660 O\n0.646535 0.618986 0.021747 O\n0.980217 0.729967 0.064685 O\n0.934698 0.946584 0.550589 O\n0.056072 0.495620 0.834898 O\n0.986492 0.744865 0.692384 O\n0.715021 0.692359 0.647729 O\n0.117277 0.457479 0.569179 O\n0.473562 0.096428 0.330353 O\n0.576542 0.443990 0.446612 O\n0.175210 0.735166 0.524922 O\n0.753160 0.296609 0.609505 O\n0.059048 0.934182 0.899265 O\n0.661162 0.246005 0.134848 O\n0.800194 0.856631 0.901129 O\n0.234895 0.553221 0.005663 O\n0.462911 0.894653 0.547674 O\n0.858553 0.537105 0.484528 O\n0.073160 0.581469 0.281951 O\n0.326684 0.125556 0.924634 O\n0.242433 0.871054 0.038606 O\n0.206156 0.363607 0.307552 O\n0.359656 0.583016 0.446077 O\n0.275851 0.335494 0.735850 O\n0.627529 0.340958 0.897994 O\n0.921872 0.761429 0.344667 O\n0.054008 0.142420 0.433640 O\n0.766560 0.551763 0.226598 O\n0.253589 0.893357 0.349002 O\n0.985859 0.069741 0.125299 O\n0.922075 0.315249 0.289223 O\n0.448082 0.371955 0.235186 O\n0.870217 0.336220 0.037495 O\n0.320429 0.256328 0.495854 O\n0.696478 0.790420 0.412905 O\n0.234676 0.713103 0.793508 O\n0.505729 0.953234 0.039852 O\n0.237412 0.122466 0.197488 O\n0.544063 0.448750 0.684520 O\n0.765402 0.897691 0.138936 O\n0.692548 0.029581 0.595128 O\n0.798316 0.141904 0.831958 O\n0.529732 0.756903 0.838809 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 4.0946343322916485,
"density_atomic": 0.08010424048852455,
"volume": 998.6986895089595,
"volume_molar": 7.517880106313111,
"formula_full": "Cr24 Fe8 O48",
"formula_reduced": "Cr3FeO6",
"formula_anonymous": "AB3C6",
"energy": -681.7725261199998,
"energy_per_atom": -8.522156576499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -582.77252612,
"band_gap": 0.4726999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 99.9995112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.179000Z",
"spacegroup": 1
},
{
"id": "mp-764645",
"created_at": "2022-09-04T14:46:21.714462Z",
"structure_string": "Li6 Mn2 F14\n1.0\n5.281192 0.000000 0.000000\n0.744646 6.997019 0.000000\n1.965049 2.376481 7.404200\nLi Mn F\n6 2 14\ndirect\n0.862976 0.992456 0.719611 Li\n0.799681 0.544502 0.681471 Li\n0.291333 0.714598 0.569122 Li\n0.201608 0.435457 0.322257 Li\n0.131833 0.006426 0.249760 Li\n0.658218 0.239154 0.103798 Li\n0.282841 0.284499 0.792698 Mn\n0.709030 0.713470 0.201068 Mn\n0.670955 0.833633 0.972988 F\n0.161600 0.053855 0.792899 F\n0.941449 0.355628 0.896352 F\n0.415718 0.526984 0.781350 F\n0.950366 0.783538 0.631607 F\n0.611651 0.217101 0.685904 F\n0.196915 0.429127 0.573870 F\n0.740926 0.597043 0.437172 F\n0.364114 0.781432 0.303697 F\n0.145303 0.177305 0.366707 F\n0.585070 0.473551 0.201554 F\n0.044326 0.635243 0.130522 F\n0.805042 0.962551 0.206492 F\n0.356960 0.175012 0.018577 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.5338572839540356,
"density_atomic": 0.08040804991905512,
"volume": 273.60444659641513,
"volume_molar": 7.489474954388704,
"formula_full": "Li6 Mn2 F14",
"formula_reduced": "Li3MnF7",
"formula_anonymous": "AB3C7",
"energy": -119.44859764,
"energy_per_atom": -5.429481710909091,
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"energy_uncorrected": -109.64459764,
"band_gap": 1.4076999999999995,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:29.419000Z",
"spacegroup": 1
},
{
"id": "mp-1221508",
"created_at": "2022-09-04T14:46:22.399697Z",
"structure_string": "Na11 Ti1 Nb2 Si4 P2 O25 F1\n1.0\n5.577531 0.000000 0.000000\n-0.084057 7.246890 0.000000\n-1.327053 -0.688198 14.591975\nNa Ti Nb Si P O F\n11 1 2 4 2 25 1\ndirect\n0.492428 0.738090 0.501675 Na\n0.500048 0.260774 0.496244 Na\n0.757342 0.763512 0.921039 Na\n0.242695 0.236466 0.078912 Na\n0.815689 0.518466 0.100683 Na\n0.184389 0.481478 0.899192 Na\n0.290740 0.510614 0.265686 Na\n0.708892 0.489356 0.734717 Na\n0.803534 0.992797 0.132770 Na\n0.196619 0.007224 0.867138 Na\n0.000369 0.000151 0.499880 Na\n0.973834 0.500097 0.507505 Ti\n0.299940 0.991653 0.283607 Nb\n0.700572 0.008386 0.715993 Nb\n0.801328 0.704468 0.315886 Si\n0.200174 0.295429 0.683717 Si\n0.183874 0.719047 0.696240 Si\n0.817577 0.281217 0.303776 Si\n0.312760 0.755341 0.066395 P\n0.687441 0.244560 0.933576 P\n0.587204 0.755879 0.056058 O\n0.412935 0.244047 0.943874 O\n0.841345 0.698292 0.426144 O\n0.164488 0.302040 0.573210 O\n0.170266 0.773465 0.971026 O\n0.829746 0.226515 0.028914 O\n0.257018 0.930748 0.129605 O\n0.743548 0.069291 0.870316 O\n0.539511 0.787940 0.282094 O\n0.461133 0.211655 0.718236 O\n0.949781 0.802598 0.745238 O\n0.050952 0.197413 0.254369 O\n0.234233 0.573618 0.109158 O\n0.765901 0.426441 0.890839 O\n0.796680 0.494016 0.264782 O\n0.204318 0.505946 0.735010 O\n0.684315 0.983484 0.592918 O\n0.315574 0.016108 0.406749 O\n0.433090 0.825131 0.741386 O\n0.567827 0.175087 0.258810 O\n0.015667 0.814254 0.271851 O\n0.984624 0.186187 0.727419 O\n0.161446 0.708775 0.585010 O\n0.842172 0.291786 0.414845 O\n0.738549 0.497536 0.575876 O\n0.277434 0.502626 0.421630 F\n",
"nsites": 46,
"nelements": 7,
"elements": [
"Na",
"Ti",
"Nb",
"Si",
"P",
"O",
"F"
],
"chemical_system": "F-Na-Nb-O-P-Si-Ti",
"density": 3.0401907223657854,
"density_atomic": 0.0779920063492634,
"volume": 589.8040344545444,
"volume_molar": 7.721484600654688,
"formula_full": "Na11 Ti1 Nb2 Si4 P2 O25 F1",
"formula_reduced": "Na11TiNb2Si4P2O25F",
"formula_anonymous": "ABC2D2E4F11G25",
"energy": -332.33874029,
"energy_per_atom": -7.224755223695651,
"energy_above_hull": null,
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"energy_uncorrected": -314.70174029,
"band_gap": 2.5924000000000005,
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"total_magnetization": 7.43e-05,
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"updated_at": "2021-11-28T01:37:28.394000Z",
"spacegroup": 1
},
{
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"id": "mp-757522",
"created_at": "2022-09-04T14:46:22.029845Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.736608 0.000000 0.000000\n4.864574 8.449154 0.000000\n0.113060 0.041687 14.383308\nLi V P O\n6 6 16 58\ndirect\n0.770035 0.907376 0.947038 Li\n0.319704 0.772506 0.948443 Li\n0.324788 0.909814 0.436750 Li\n0.223381 0.679913 0.546207 Li\n0.981663 0.050188 0.006424 Li\n0.919337 0.074284 0.485712 Li\n0.566567 0.998778 0.744403 V\n0.436517 0.002903 0.249050 V\n0.569460 0.432167 0.248563 V\n0.441633 0.557055 0.753295 V\n0.000006 0.435492 0.752346 V\n0.999052 0.560427 0.253181 V\n0.919879 0.301900 0.160076 P\n0.781348 0.305933 0.661290 P\n0.920601 0.774560 0.658852 P\n0.665185 0.670691 0.865836 P\n0.661484 0.667554 0.367809 P\n0.780812 0.907786 0.159549 P\n0.696089 0.084589 0.338109 P\n0.312371 0.777647 0.159152 P\n0.697399 0.215131 0.842738 P\n0.317745 0.905954 0.655126 P\n0.222013 0.083489 0.833890 P\n0.331168 0.336466 0.635549 P\n0.333671 0.336342 0.134547 P\n0.083069 0.216914 0.343127 P\n0.224640 0.684714 0.337138 P\n0.084371 0.692738 0.841959 P\n0.007625 0.190491 0.425728 O\n0.914929 0.346786 0.671787 O\n0.790456 0.197821 0.926896 O\n0.743126 0.344884 0.169461 O\n0.924974 0.457374 0.172898 O\n0.811243 0.523175 0.821825 O\n0.921410 0.616234 0.672841 O\n0.994999 0.790774 0.923280 O\n0.917008 0.735007 0.171607 O\n0.659702 0.523141 0.320514 O\n0.619152 0.463165 0.677205 O\n0.810311 0.664050 0.321733 O\n0.656167 0.678469 0.968918 O\n0.656207 0.667024 0.470925 O\n0.670885 0.817224 0.823792 O\n0.467249 0.618700 0.170461 O\n0.513771 0.672111 0.823727 O\n0.745613 0.912603 0.667366 O\n0.797459 0.005011 0.243641 O\n0.794358 0.006730 0.420723 O\n0.791091 0.976600 0.068720 O\n0.620567 0.910987 0.175297 O\n0.510654 0.818582 0.328353 O\n0.656035 0.080318 0.834711 O\n0.476715 0.904311 0.673893 O\n0.343317 0.735520 0.667103 O\n0.798900 0.198373 0.750607 O\n0.789346 0.219684 0.576153 O\n0.223984 0.771240 0.423814 O\n0.653914 0.260580 0.329878 O\n0.541097 0.077741 0.328165 O\n0.346829 0.916225 0.172439 O\n0.480843 0.185426 0.676850 O\n0.382682 0.079452 0.822478 O\n0.209626 0.993304 0.914233 O\n0.248701 0.971994 0.562897 O\n0.200347 0.008497 0.737799 O\n0.261981 0.084810 0.337542 O\n0.481046 0.336516 0.177116 O\n0.539609 0.377957 0.828947 O\n0.339463 0.184742 0.181247 O\n0.331498 0.333930 0.031832 O\n0.327743 0.349967 0.532923 O\n0.187474 0.333154 0.681889 O\n0.382010 0.529190 0.324325 O\n0.331299 0.484178 0.681769 O\n0.085584 0.257962 0.832180 O\n0.004544 0.194892 0.250483 O\n0.995959 0.207381 0.075933 O\n0.073649 0.380090 0.332245 O\n0.186607 0.477274 0.183102 O\n0.081050 0.536180 0.829045 O\n0.260242 0.655955 0.840379 O\n0.226948 0.797295 0.070097 O\n0.200245 0.795484 0.247492 O\n0.084797 0.652073 0.335070 O\n0.003446 0.786495 0.574882 O\n0.006925 0.795007 0.748827 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4851283577674836,
"density_atomic": 0.07268064276676575,
"volume": 1183.2586604383293,
"volume_molar": 8.285756056568212,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -657.0912749800001,
"energy_per_atom": -7.640596220697676,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -607.04527498,
"band_gap": 0.6859999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.236000Z",
"spacegroup": 1
}
]
}