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=formula_anonymous&page=11520",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=11518",
"results": [
{
"id": "mp-1212425",
"created_at": "2022-09-04T14:47:01.336788Z",
"structure_string": "K4 P8 Pt2 W2 Cl2 O20\n1.0\n8.387092 -0.573139 -0.253035\n-3.697983 6.903994 -4.657026\n1.457820 1.026012 10.661755\nK P Pt W Cl O\n4 8 2 2 2 20\ndirect\n0.226735 0.090318 0.855385 K\n0.773265 0.909682 0.144615 K\n0.118747 0.719361 0.955781 K\n0.881253 0.280639 0.044219 K\n0.217693 0.318787 0.623464 P\n0.782307 0.681213 0.376536 P\n0.242292 0.124063 0.323368 P\n0.757708 0.875937 0.676632 P\n0.704116 0.300871 0.394171 P\n0.295884 0.699129 0.605829 P\n0.301424 0.480413 0.288331 P\n0.698576 0.519587 0.711669 P\n0.507656 0.403208 0.355660 Pt\n0.492344 0.596792 0.644340 Pt\n0.213853 0.795031 0.406538 W\n0.786147 0.204969 0.593462 W\n0.515015 0.240311 0.096144 Cl\n0.484985 0.759689 0.903856 Cl\n0.169002 0.323101 0.156395 O\n0.830998 0.676899 0.843605 O\n0.291028 0.990426 0.348349 O\n0.708972 0.009574 0.651651 O\n0.046633 0.351604 0.686235 O\n0.953367 0.648396 0.313765 O\n0.124276 0.189832 0.452068 O\n0.875724 0.810168 0.547932 O\n0.243808 0.195914 0.666109 O\n0.756192 0.804086 0.333891 O\n0.363809 0.672794 0.283321 O\n0.636191 0.327206 0.716679 O\n0.118068 0.008900 0.184648 O\n0.881932 0.991100 0.815352 O\n0.183222 0.549236 0.433441 O\n0.816778 0.450764 0.566559 O\n0.645241 0.115887 0.410213 O\n0.354759 0.884113 0.589787 O\n0.168687 0.712436 0.712851 O\n0.831313 0.287564 0.287149 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
"K",
"P",
"Pt",
"W",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-P-Pt-W",
"density": 4.0151640921183676,
"density_atomic": 0.059168046878955445,
"volume": 642.238539286914,
"volume_molar": 10.178028644954175,
"formula_full": "K4 P8 Pt2 W2 Cl2 O20",
"formula_reduced": "K2P4PtWClO10",
"formula_anonymous": "ABCD2E4F10",
"energy": -267.18906121000003,
"energy_per_atom": -7.031291084473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.34506121,
"band_gap": 1.7432999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.333000Z",
"spacegroup": 2
},
{
"id": "mp-1196380",
"created_at": "2022-09-04T14:45:07.749751Z",
"structure_string": "Sm4 Ag4 H16 C8 S4 O40\n1.0\n14.204656 0.000000 0.000000\n0.000000 6.696234 0.000000\n0.000000 1.200754 8.982678\nSm Ag H C S O\n4 4 16 8 4 40\ndirect\n0.909782 0.225795 0.214103 Sm\n0.409782 0.774205 0.285897 Sm\n0.090218 0.774205 0.785897 Sm\n0.590218 0.225795 0.714103 Sm\n0.745438 0.715667 0.226980 Ag\n0.245438 0.284333 0.273020 Ag\n0.254562 0.284333 0.773020 Ag\n0.754562 0.715667 0.726980 Ag\n0.098689 0.323617 0.046529 H\n0.598689 0.676383 0.453471 H\n0.901311 0.676383 0.953471 H\n0.401311 0.323617 0.546529 H\n0.097710 0.090438 0.098414 H\n0.597710 0.909562 0.401586 H\n0.902290 0.909562 0.901586 H\n0.402290 0.090438 0.598414 H\n0.023393 0.202483 0.522560 H\n0.523393 0.797517 0.977440 H\n0.976607 0.797517 0.477440 H\n0.476607 0.202483 0.022560 H\n0.050133 0.398800 0.410451 H\n0.550133 0.601200 0.089549 H\n0.949867 0.601200 0.589549 H\n0.449867 0.398800 0.910451 H\n0.778251 0.123339 0.516890 C\n0.278251 0.876661 0.983110 C\n0.221749 0.876661 0.483110 C\n0.721749 0.123339 0.016890 C\n0.763252 0.351219 0.474608 C\n0.263252 0.648781 0.025392 C\n0.236748 0.648781 0.525392 C\n0.736748 0.351219 0.974608 C\n0.973397 0.272048 0.807675 S\n0.473397 0.727952 0.692325 S\n0.026603 0.727952 0.192325 S\n0.526603 0.272048 0.307675 S\n0.705936 0.439246 0.550611 O\n0.205936 0.560754 0.949389 O\n0.294064 0.560754 0.449389 O\n0.794064 0.439246 0.050611 O\n0.833084 0.035802 0.437901 O\n0.333084 0.964198 0.062099 O\n0.166916 0.964198 0.562099 O\n0.666916 0.035802 0.937901 O\n0.090856 0.222859 0.135159 O\n0.590856 0.777141 0.364841 O\n0.909144 0.777141 0.864841 O\n0.409144 0.222859 0.635159 O\n0.927329 0.166284 0.945234 O\n0.427329 0.833716 0.554766 O\n0.072671 0.833716 0.054766 O\n0.572671 0.166284 0.445234 O\n0.037557 0.431439 0.852158 O\n0.537557 0.568561 0.647842 O\n0.962443 0.568561 0.147842 O\n0.462443 0.431439 0.352158 O\n0.903582 0.362128 0.699813 O\n0.403582 0.637872 0.800187 O\n0.096418 0.637872 0.300187 O\n0.596418 0.362128 0.199813 O\n0.031866 0.119102 0.741298 O\n0.531866 0.880898 0.758702 O\n0.968134 0.880898 0.258702 O\n0.468134 0.119102 0.241298 O\n0.012271 0.274044 0.422553 O\n0.512271 0.725956 0.077447 O\n0.987729 0.725956 0.577447 O\n0.487729 0.274044 0.922553 O\n0.730371 0.041545 0.628503 O\n0.230371 0.958455 0.871497 O\n0.269629 0.958455 0.371497 O\n0.769629 0.041545 0.128503 O\n0.808973 0.431601 0.361407 O\n0.308973 0.568399 0.138593 O\n0.191027 0.568399 0.638593 O\n0.691027 0.431601 0.861407 O\n",
"nsites": 76,
"nelements": 6,
"elements": [
"Sm",
"Ag",
"H",
"C",
"S",
"O"
],
"chemical_system": "Ag-C-H-O-S-Sm",
"density": 3.718595509858007,
"density_atomic": 0.08895009535773797,
"volume": 854.4116753820724,
"volume_molar": 6.77024654755035,
"formula_full": "Sm4 Ag4 H16 C8 S4 O40",
"formula_reduced": "SmAgH4C2SO10",
"formula_anonymous": "ABCD2E4F10",
"energy": -510.00781054,
"energy_per_atom": -6.710629086052632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -482.52781054,
"band_gap": 2.5559,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.089000Z",
"spacegroup": 14
},
{
"id": "mp-1211027",
"created_at": "2022-09-04T14:46:53.660655Z",
"structure_string": "Na6 Co6 B6 P12 H24 O66\n1.0\n4.759502 -8.243699 0.000000\n4.759502 8.243699 0.000000\n0.000000 0.000000 15.961628\nNa Co B P H O\n6 6 6 12 24 66\ndirect\n0.193089 0.386177 0.250000 Na\n0.613823 0.806911 0.583333 Na\n0.806911 0.613823 0.750000 Na\n0.386177 0.193089 0.083333 Na\n0.193089 0.806911 0.916667 Na\n0.806911 0.193089 0.416667 Na\n0.553248 0.106496 0.250000 Co\n0.893504 0.446752 0.583333 Co\n0.446752 0.893504 0.750000 Co\n0.106496 0.553248 0.083333 Co\n0.553248 0.446752 0.916667 Co\n0.446752 0.553248 0.416667 Co\n0.847863 0.695727 0.250000 B\n0.304273 0.152137 0.583333 B\n0.152137 0.304273 0.750000 B\n0.695727 0.847863 0.083333 B\n0.847863 0.152137 0.916667 B\n0.152137 0.847863 0.416667 B\n0.388180 0.168005 0.414394 P\n0.831995 0.220175 0.747727 P\n0.611820 0.831995 0.914394 P\n0.168005 0.388180 0.918940 P\n0.779825 0.611820 0.081060 P\n0.168005 0.779825 0.247727 P\n0.220175 0.831995 0.585606 P\n0.831995 0.611820 0.418940 P\n0.220175 0.388180 0.581060 P\n0.779825 0.168005 0.085606 P\n0.611820 0.779825 0.252273 P\n0.388180 0.220175 0.752273 P\n0.186196 0.585479 0.370685 H\n0.414521 0.600717 0.704018 H\n0.813804 0.414521 0.870685 H\n0.585479 0.186196 0.962649 H\n0.399283 0.813804 0.037351 H\n0.585479 0.399283 0.204018 H\n0.600717 0.414521 0.629315 H\n0.414521 0.813804 0.462649 H\n0.600717 0.186196 0.537351 H\n0.399283 0.585479 0.129315 H\n0.813804 0.399283 0.295982 H\n0.186196 0.600717 0.795982 H\n0.317400 0.458347 0.055731 H\n0.541653 0.859053 0.389065 H\n0.682600 0.541653 0.555731 H\n0.458347 0.317400 0.277602 H\n0.140947 0.682600 0.722398 H\n0.458347 0.140947 0.889065 H\n0.859053 0.541653 0.944269 H\n0.541653 0.682600 0.777602 H\n0.859053 0.317400 0.222398 H\n0.140947 0.458347 0.444269 H\n0.682600 0.140947 0.610935 H\n0.317400 0.859053 0.110935 H\n0.388075 0.317976 0.379345 O\n0.682024 0.070099 0.712678 O\n0.611925 0.682024 0.879345 O\n0.317976 0.388075 0.953989 O\n0.929901 0.611925 0.046011 O\n0.317976 0.929901 0.212678 O\n0.070099 0.682024 0.620655 O\n0.682024 0.611925 0.453989 O\n0.070099 0.388075 0.546011 O\n0.929901 0.317976 0.120655 O\n0.611925 0.929901 0.287322 O\n0.388075 0.070099 0.787322 O\n0.293849 0.491677 0.110952 O\n0.508323 0.802172 0.444285 O\n0.706151 0.508323 0.610952 O\n0.491677 0.293849 0.222382 O\n0.197828 0.706151 0.777618 O\n0.491677 0.197828 0.944285 O\n0.802172 0.508323 0.889048 O\n0.508323 0.706151 0.722382 O\n0.802172 0.293849 0.277618 O\n0.197828 0.491677 0.389048 O\n0.706151 0.197828 0.555715 O\n0.293849 0.802172 0.055715 O\n0.134307 0.000000 0.000000 O\n0.000000 0.134307 0.333333 O\n0.865693 0.000000 0.500000 O\n0.865693 0.865693 0.666667 O\n0.000000 0.865693 0.833333 O\n0.134307 0.134307 0.166667 O\n0.619317 0.137859 0.123729 O\n0.862141 0.481458 0.457062 O\n0.380683 0.862141 0.623729 O\n0.137859 0.619317 0.209605 O\n0.518542 0.380683 0.790395 O\n0.137859 0.518542 0.957062 O\n0.481458 0.862141 0.876271 O\n0.862141 0.380683 0.709605 O\n0.481458 0.619317 0.290395 O\n0.518542 0.137859 0.376271 O\n0.380683 0.518542 0.542938 O\n0.619317 0.481458 0.042938 O\n0.420303 0.183528 0.512456 O\n0.816472 0.236775 0.845789 O\n0.579697 0.816472 0.012456 O\n0.183528 0.420303 0.820878 O\n0.763225 0.579697 0.179122 O\n0.183528 0.763225 0.345789 O\n0.236775 0.816472 0.487544 O\n0.816472 0.579697 0.320878 O\n0.236775 0.420303 0.679122 O\n0.763225 0.183528 0.987544 O\n0.579697 0.763225 0.154211 O\n0.420303 0.236775 0.654211 O\n0.215257 0.019625 0.399542 O\n0.980375 0.195632 0.732875 O\n0.784743 0.980375 0.899542 O\n0.019625 0.215257 0.933791 O\n0.804368 0.784743 0.066209 O\n0.019625 0.804368 0.232875 O\n0.195632 0.980375 0.600458 O\n0.980375 0.784743 0.433791 O\n0.195632 0.215257 0.566209 O\n0.804368 0.019625 0.100458 O\n0.784743 0.804368 0.267125 O\n0.215257 0.195632 0.767125 O\n",
"nsites": 120,
"nelements": 6,
"elements": [
"Na",
"Co",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Co-H-Na-O-P",
"density": 2.6624034432800645,
"density_atomic": 0.09580549644457163,
"volume": 1252.5377400390187,
"volume_molar": 6.285798814772715,
"formula_full": "Na6 Co6 B6 P12 H24 O66",
"formula_reduced": "NaCoBP2H4O11",
"formula_anonymous": "ABCD2E4F11",
"energy": -794.88753994,
"energy_per_atom": -6.624062832833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -739.71753994,
"band_gap": 0.1210999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.188000Z",
"spacegroup": 178
},
{
"id": "mp-698289",
"created_at": "2022-09-04T14:41:14.919101Z",
"structure_string": "B2 H22 Au2 C8 I2 N4\n1.0\n6.233185 0.000000 0.000000\n-1.952302 9.220364 0.000000\n-0.168569 -4.565426 8.814334\nB H Au C I N\n2 22 2 8 2 4\ndirect\n0.594666 0.566473 0.755760 B\n0.405334 0.433527 0.244240 B\n0.257673 0.835519 0.912766 H\n0.742327 0.164481 0.087234 H\n0.538128 0.846831 0.972388 H\n0.461872 0.153169 0.027612 H\n0.469481 0.840668 0.793118 H\n0.530519 0.159332 0.206882 H\n0.046757 0.592343 0.696690 H\n0.953243 0.407657 0.303310 H\n0.268889 0.588928 0.583445 H\n0.731111 0.411072 0.416555 H\n0.156337 0.414059 0.610810 H\n0.843663 0.585941 0.389190 H\n0.241130 0.424721 0.860664 H\n0.758870 0.575279 0.139336 H\n0.384763 0.616841 0.014985 H\n0.615237 0.383159 0.985015 H\n0.110710 0.592680 0.937468 H\n0.889290 0.407320 0.062532 H\n0.720427 0.622312 0.871665 H\n0.279573 0.377688 0.128335 H\n0.662739 0.620724 0.670370 H\n0.337261 0.379276 0.329630 H\n0.000000 0.000000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.539133 0.240731 0.610473 C\n0.460867 0.759269 0.389527 C\n0.409567 0.797665 0.875140 C\n0.590433 0.202335 0.124860 C\n0.196580 0.547751 0.663415 C\n0.803420 0.452249 0.336585 C\n0.268469 0.557850 0.910716 C\n0.731531 0.442150 0.089284 C\n0.013027 0.046908 0.779487 I\n0.986973 0.953092 0.220513 I\n0.362637 0.615165 0.800875 N\n0.637363 0.384835 0.199125 N\n0.556565 0.381796 0.674923 N\n0.443435 0.618204 0.325077 N\n",
"nsites": 40,
"nelements": 6,
"elements": [
"B",
"H",
"Au",
"C",
"I",
"N"
],
"chemical_system": "Au-B-C-H-I-N",
"density": 2.7654411317188354,
"density_atomic": 0.07896095729396133,
"volume": 506.5794713086523,
"volume_molar": 7.626732205867714,
"formula_full": "B2 H22 Au2 C8 I2 N4",
"formula_reduced": "BH11AuC4IN2",
"formula_anonymous": "ABCD2E4F11",
"energy": -212.71627563,
"energy_per_atom": -5.317906890750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.51427563,
"band_gap": 1.9587,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.401000Z",
"spacegroup": 2
},
{
"id": "mp-542264",
"created_at": "2022-09-04T14:41:02.217926Z",
"structure_string": "Ba2 Na2 Ce4 C8 O24 F2\n1.0\n2.574139 -4.458540 0.000000\n2.574139 4.458540 0.000000\n0.000000 0.000000 23.187470\nBa Na Ce C O F\n2 2 4 8 24 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.353117 Ce\n0.666667 0.333333 0.853117 Ce\n0.666667 0.333333 0.646883 Ce\n0.333333 0.666667 0.146883 Ce\n0.000000 0.000000 0.677397 C\n0.000000 0.000000 0.177397 C\n0.000000 0.000000 0.322603 C\n0.000000 0.000000 0.822603 C\n0.666667 0.333333 0.432987 C\n0.333333 0.666667 0.932987 C\n0.333333 0.666667 0.567013 C\n0.666667 0.333333 0.067013 C\n0.145182 0.290364 0.676117 O\n0.854818 0.145182 0.176117 O\n0.290364 0.145182 0.176117 O\n0.709636 0.854818 0.676117 O\n0.145182 0.854818 0.676117 O\n0.854818 0.709636 0.323883 O\n0.854818 0.145182 0.323883 O\n0.854818 0.709636 0.176117 O\n0.290364 0.145182 0.323883 O\n0.709636 0.854818 0.823883 O\n0.145182 0.290364 0.823883 O\n0.145182 0.854818 0.823883 O\n0.521109 0.042218 0.434332 O\n0.478891 0.521109 0.934332 O\n0.042218 0.521109 0.934332 O\n0.957782 0.478891 0.434332 O\n0.521109 0.478891 0.434332 O\n0.478891 0.957782 0.565668 O\n0.478891 0.521109 0.565668 O\n0.478891 0.957782 0.934332 O\n0.042218 0.521109 0.565668 O\n0.957782 0.478891 0.065668 O\n0.521109 0.042218 0.065668 O\n0.521109 0.478891 0.065668 O\n0.333333 0.666667 0.250000 F\n0.666667 0.333333 0.750000 F\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ba",
"Na",
"Ce",
"C",
"O",
"F"
],
"chemical_system": "Ba-C-Ce-F-Na-O",
"density": 4.365260612629082,
"density_atomic": 0.07891167607856145,
"volume": 532.2406275870558,
"volume_molar": 7.631495184571403,
"formula_full": "Ba2 Na2 Ce4 C8 O24 F2",
"formula_reduced": "BaNaCe2C4O12F",
"formula_anonymous": "ABCD2E4F12",
"energy": -340.10419209,
"energy_per_atom": -8.097718859285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.69219209,
"band_gap": 0.1565000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9963734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.501000Z",
"spacegroup": 194
},
{
"id": "mp-1224979",
"created_at": "2022-09-04T14:44:51.980830Z",
"structure_string": "H48 C16 S8 Br4 N4 O4\n1.0\n8.047130 0.000000 0.000000\n0.000000 9.862432 0.000000\n0.000000 0.000000 12.038068\nH C S Br N O\n48 16 8 4 4 4\ndirect\n0.908454 0.579533 0.923672 H\n0.591546 0.079533 0.576328 H\n0.408454 0.420467 0.076328 H\n0.091546 0.920467 0.423672 H\n0.091546 0.420467 0.076328 H\n0.408454 0.920467 0.423672 H\n0.591546 0.579533 0.923672 H\n0.908454 0.079533 0.576328 H\n0.035323 0.450969 0.856387 H\n0.464677 0.950969 0.643613 H\n0.535323 0.549031 0.143613 H\n0.964677 0.049031 0.356387 H\n0.964677 0.549031 0.143613 H\n0.535323 0.049031 0.356387 H\n0.464677 0.450969 0.856387 H\n0.035323 0.950969 0.643613 H\n0.907955 0.032443 0.105736 H\n0.592045 0.532443 0.394264 H\n0.407955 0.967557 0.894264 H\n0.092045 0.467557 0.605736 H\n0.092045 0.967557 0.894264 H\n0.407955 0.467557 0.605736 H\n0.592045 0.032443 0.105736 H\n0.907955 0.532443 0.394264 H\n0.035040 0.161754 0.039480 H\n0.464960 0.661754 0.460520 H\n0.535040 0.838246 0.960520 H\n0.964960 0.338246 0.539480 H\n0.964960 0.838246 0.960520 H\n0.535040 0.338246 0.539480 H\n0.464960 0.161754 0.039480 H\n0.035040 0.661754 0.460520 H\n0.909129 0.201847 0.162415 H\n0.590871 0.701847 0.337585 H\n0.409129 0.798153 0.837585 H\n0.090871 0.298153 0.662415 H\n0.090871 0.798153 0.837585 H\n0.409129 0.298153 0.662415 H\n0.590871 0.201847 0.162415 H\n0.909129 0.701847 0.337585 H\n0.913934 0.570229 0.773890 H\n0.586066 0.070229 0.726110 H\n0.413934 0.429771 0.226110 H\n0.086066 0.929771 0.273890 H\n0.086066 0.429771 0.226110 H\n0.413934 0.929771 0.273890 H\n0.586066 0.570229 0.773890 H\n0.913934 0.070229 0.726110 H\n0.920156 0.141223 0.086170 C\n0.579844 0.641223 0.413830 C\n0.420156 0.858777 0.913830 C\n0.079844 0.358777 0.586170 C\n0.079844 0.858777 0.913830 C\n0.420156 0.358777 0.586170 C\n0.579844 0.141223 0.086170 C\n0.920156 0.641223 0.413830 C\n0.921072 0.512252 0.851621 C\n0.578928 0.012252 0.648379 C\n0.421072 0.487748 0.148379 C\n0.078928 0.987748 0.351621 C\n0.078928 0.487748 0.148379 C\n0.421072 0.987748 0.351621 C\n0.578928 0.512252 0.851621 C\n0.921072 0.012252 0.648379 C\n0.750000 0.175417 0.994635 S\n0.750000 0.675417 0.505365 S\n0.250000 0.824583 0.005365 S\n0.250000 0.324583 0.494635 S\n0.750000 0.399335 0.856815 S\n0.750000 0.899335 0.643185 S\n0.250000 0.600665 0.143185 S\n0.250000 0.100665 0.356815 S\n0.250000 0.227541 0.871599 Br\n0.250000 0.727541 0.628401 Br\n0.750000 0.772459 0.128401 Br\n0.750000 0.272459 0.371599 Br\n0.750000 0.340489 0.979640 N\n0.750000 0.840489 0.520360 N\n0.250000 0.659511 0.020360 N\n0.250000 0.159511 0.479640 N\n0.750000 0.306110 0.763181 O\n0.750000 0.806110 0.736819 O\n0.250000 0.693890 0.236819 O\n0.250000 0.193890 0.263181 O\n",
"nsites": 84,
"nelements": 6,
"elements": [
"H",
"C",
"S",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-H-N-O-S",
"density": 1.6280722869908402,
"density_atomic": 0.08792197895856296,
"volume": 955.3925081644106,
"volume_molar": 6.849414482399441,
"formula_full": "H48 C16 S8 Br4 N4 O4",
"formula_reduced": "H12C4S2BrNO",
"formula_anonymous": "ABCD2E4F12",
"energy": -423.45176948,
"energy_per_atom": -5.041092493809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -417.12376948,
"band_gap": 3.9773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.389000Z",
"spacegroup": 62
},
{
"id": "mp-684950",
"created_at": "2022-09-04T14:47:28.022314Z",
"structure_string": "K1 Na1 Zr2 Be1 P4 O16\n1.0\n7.436959 0.000000 0.000000\n-1.935029 7.597377 0.000000\n-3.343055 -3.330752 6.371033\nK Na Zr Be P O\n1 1 2 1 4 16\ndirect\n0.253269 0.953168 0.397911 K\n0.961509 0.057880 0.927526 Na\n0.336147 0.757565 0.924746 Zr\n0.420319 0.538927 0.480177 Zr\n0.888476 0.548056 0.237762 Be\n0.635533 0.414626 0.779193 P\n0.720485 0.790750 0.416215 P\n0.869499 0.252999 0.612928 P\n0.674311 0.250437 0.305245 P\n0.689427 0.450450 0.995366 O\n0.742001 0.578391 0.740758 O\n0.126897 0.873517 0.822917 O\n0.385774 0.329812 0.617950 O\n0.714056 0.238331 0.709346 O\n0.423260 0.737335 0.709452 O\n0.881272 0.757075 0.349113 O\n0.125914 0.370169 0.196152 O\n0.864201 0.424368 0.354291 O\n0.484066 0.296053 0.299009 O\n0.162738 0.878899 0.026344 O\n0.508612 0.770140 0.232255 O\n0.091369 0.430360 0.763196 O\n0.609107 0.057253 0.123642 O\n0.131882 0.571158 0.260648 O\n0.888874 0.051383 0.585160 O\n",
"nsites": 25,
"nelements": 6,
"elements": [
"K",
"Na",
"Zr",
"Be",
"P",
"O"
],
"chemical_system": "Be-K-Na-O-P-Zr",
"density": 2.9220076089098956,
"density_atomic": 0.06944981435598163,
"volume": 359.9721645310169,
"volume_molar": 8.671212177950654,
"formula_full": "K1 Na1 Zr2 Be1 P4 O16",
"formula_reduced": "KNaZr2Be(PO4)4",
"formula_anonymous": "ABCD2E4F16",
"energy": -178.66744934,
"energy_per_atom": -7.146697973599999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.09144934,
"band_gap": 2.6594,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.040000Z",
"spacegroup": 1
},
{
"id": "mp-1196083",
"created_at": "2022-09-04T14:44:15.855092Z",
"structure_string": "K4 H8 Au4 C16 N16 O4\n1.0\n6.823444 0.000000 0.000000\n0.000000 7.505780 0.000000\n0.000000 0.000000 17.511493\nK H Au C N O\n4 8 4 16 16 4\ndirect\n0.739919 0.467944 0.982656 K\n0.760081 0.532056 0.482656 K\n0.239919 0.032056 0.017344 K\n0.260081 0.967944 0.517344 K\n0.314698 0.687611 0.930357 H\n0.185302 0.312389 0.430357 H\n0.814698 0.812389 0.069643 H\n0.685302 0.187611 0.569643 H\n0.277013 0.592631 0.008089 H\n0.222987 0.407369 0.508089 H\n0.777013 0.907369 0.991911 H\n0.722987 0.092631 0.491911 H\n0.242229 0.428162 0.739021 Au\n0.257771 0.571838 0.239021 Au\n0.742229 0.071838 0.260979 Au\n0.757771 0.928162 0.760979 Au\n0.348800 0.524140 0.640257 C\n0.151200 0.475860 0.140257 C\n0.848800 0.975860 0.359743 C\n0.651200 0.024140 0.859743 C\n0.998205 0.352821 0.683559 C\n0.501795 0.647179 0.183559 C\n0.498205 0.147179 0.316441 C\n0.001795 0.852821 0.816441 C\n0.135090 0.336399 0.838662 C\n0.364910 0.663601 0.338662 C\n0.635090 0.163601 0.161338 C\n0.864910 0.836399 0.661338 C\n0.488684 0.500386 0.793884 C\n0.011316 0.499614 0.293884 C\n0.988684 0.999614 0.206116 C\n0.511316 0.000386 0.706116 C\n0.411807 0.577561 0.582674 N\n0.088193 0.422439 0.082674 N\n0.911807 0.922439 0.417326 N\n0.588193 0.077561 0.917326 N\n0.859708 0.304760 0.650427 N\n0.640292 0.695240 0.150427 N\n0.359708 0.195240 0.349573 N\n0.140292 0.804760 0.849573 N\n0.080152 0.286800 0.898096 N\n0.419848 0.713200 0.398096 N\n0.580152 0.213200 0.101904 N\n0.919848 0.786800 0.601904 N\n0.629151 0.542296 0.827381 N\n0.870849 0.457704 0.327381 N\n0.129151 0.957704 0.172619 N\n0.370849 0.042296 0.672619 N\n0.374087 0.663780 0.980525 O\n0.125913 0.336220 0.480525 O\n0.874087 0.836220 0.019475 O\n0.625913 0.163780 0.519475 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"K",
"H",
"Au",
"C",
"N",
"O"
],
"chemical_system": "Au-C-H-K-N-O",
"density": 2.652473798905727,
"density_atomic": 0.05798033313759226,
"volume": 896.8558334530362,
"volume_molar": 10.38652321246404,
"formula_full": "K4 H8 Au4 C16 N16 O4",
"formula_reduced": "KH2AuC4N4O",
"formula_anonymous": "ABCD2E4F4",
"energy": -354.82380289,
"energy_per_atom": -6.823534670961539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.29980289,
"band_gap": 4.2733,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.453000Z",
"spacegroup": 19
},
{
"id": "mp-561270",
"created_at": "2022-09-04T14:41:21.477931Z",
"structure_string": "Sn4 H16 C8 N4 O16 F4\n1.0\n9.841243 0.000000 0.000000\n0.000000 7.804601 0.000000\n0.000000 2.963073 8.126817\nSn H C N O F\n4 16 8 4 16 4\ndirect\n0.813159 0.005551 0.623128 Sn\n0.313159 0.494449 0.376872 Sn\n0.186841 0.994449 0.376872 Sn\n0.686841 0.505551 0.623128 Sn\n0.751756 0.721184 0.999793 H\n0.251756 0.778816 0.000207 H\n0.736969 0.028284 0.162584 H\n0.649758 0.542131 0.012082 H\n0.125916 0.831705 0.860289 H\n0.248244 0.278816 0.000207 H\n0.625916 0.668295 0.139711 H\n0.236969 0.471716 0.837416 H\n0.874084 0.168295 0.139711 H\n0.263031 0.971716 0.837416 H\n0.763031 0.528284 0.162584 H\n0.149758 0.957869 0.987918 H\n0.748244 0.221184 0.999793 H\n0.850242 0.042131 0.012082 H\n0.374084 0.331705 0.860289 H\n0.350242 0.457869 0.987918 H\n0.010423 0.622067 0.299490 C\n0.483956 0.930535 0.278914 C\n0.510423 0.877933 0.700510 C\n0.016044 0.430535 0.278914 C\n0.989577 0.377933 0.700510 C\n0.516044 0.069465 0.721086 C\n0.983956 0.569465 0.721086 C\n0.489577 0.122067 0.299490 C\n0.304937 0.385709 0.920974 N\n0.804937 0.114291 0.079026 N\n0.695063 0.614291 0.079026 N\n0.195063 0.885709 0.920974 N\n0.599375 0.202335 0.288285 O\n0.631500 0.152875 0.686750 O\n0.087515 0.630201 0.767474 O\n0.131500 0.347125 0.313250 O\n0.900625 0.702335 0.288285 O\n0.368500 0.847125 0.313250 O\n0.412485 0.130201 0.767474 O\n0.627945 0.817567 0.671777 O\n0.099375 0.297665 0.711715 O\n0.587515 0.869799 0.232526 O\n0.912485 0.369799 0.232526 O\n0.372055 0.182433 0.328223 O\n0.868500 0.652875 0.686750 O\n0.127945 0.682433 0.328223 O\n0.872055 0.317567 0.671777 O\n0.400625 0.797665 0.711715 O\n0.647977 0.407350 0.878036 F\n0.147977 0.092650 0.121964 F\n0.852023 0.907350 0.878036 F\n0.352023 0.592650 0.121964 F\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Sn",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-Sn",
"density": 2.5939454268512394,
"density_atomic": 0.0833071356668582,
"volume": 624.196229815725,
"volume_molar": 7.2288414573300095,
"formula_full": "Sn4 H16 C8 N4 O16 F4",
"formula_reduced": "SnH4C2NO4F",
"formula_anonymous": "ABCD2E4F4",
"energy": -333.73819228,
"energy_per_atom": -6.41804215923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.45419228,
"band_gap": 2.5469,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0045619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.855000Z",
"spacegroup": 14
},
{
"id": "mp-1198363",
"created_at": "2022-09-04T14:48:25.936841Z",
"structure_string": "K8 U4 H16 C16 S4 N4 O40\n1.0\n15.120840 0.000000 0.000000\n0.000000 8.116682 0.000000\n0.000000 6.541349 11.195409\nK U H C S N O\n8 4 16 16 4 4 40\ndirect\n0.191560 0.710792 0.243132 K\n0.308440 0.710792 0.743132 K\n0.808440 0.289208 0.756868 K\n0.691560 0.289208 0.256868 K\n0.124061 0.311311 0.112444 K\n0.375939 0.311311 0.612444 K\n0.875939 0.688689 0.887556 K\n0.624061 0.688689 0.387556 K\n0.418698 0.122535 0.181455 U\n0.081302 0.122535 0.681455 U\n0.581302 0.877465 0.818545 U\n0.918698 0.877465 0.318545 U\n0.256236 0.276889 0.325005 H\n0.243764 0.276889 0.825005 H\n0.743764 0.723111 0.674995 H\n0.756236 0.723111 0.174995 H\n0.158451 0.289171 0.363489 H\n0.341549 0.289171 0.863489 H\n0.841549 0.710829 0.636511 H\n0.658451 0.710829 0.136511 H\n0.100197 0.619982 0.851276 H\n0.399803 0.619982 0.351276 H\n0.899803 0.380018 0.148724 H\n0.600197 0.380018 0.648724 H\n0.110401 0.442687 0.834504 H\n0.389599 0.442687 0.334504 H\n0.889599 0.557313 0.165496 H\n0.610401 0.557313 0.665496 H\n0.333639 0.597279 0.037499 C\n0.166361 0.597279 0.537499 C\n0.666361 0.402721 0.962501 C\n0.833639 0.402721 0.462501 C\n0.423452 0.827301 0.472831 C\n0.076548 0.827301 0.972831 C\n0.576548 0.172699 0.527169 C\n0.923452 0.172699 0.027169 C\n0.388764 0.019188 0.458620 C\n0.111236 0.019188 0.958620 C\n0.611236 0.980812 0.541380 C\n0.888764 0.980812 0.041380 C\n0.516218 0.905291 0.053249 C\n0.983782 0.905291 0.553249 C\n0.483782 0.094709 0.946751 C\n0.016218 0.094709 0.446751 C\n0.305215 0.816727 0.980033 S\n0.194785 0.816727 0.480033 S\n0.694785 0.183273 0.019967 S\n0.805215 0.183273 0.519967 S\n0.353795 0.433652 0.079195 N\n0.146205 0.433652 0.579195 N\n0.646205 0.566348 0.920805 N\n0.853795 0.566348 0.420805 N\n0.311291 0.023331 0.179633 O\n0.188709 0.023331 0.679633 O\n0.688709 0.976669 0.820367 O\n0.811291 0.976669 0.320367 O\n0.526282 0.218271 0.184255 O\n0.973718 0.218271 0.684255 O\n0.473718 0.781729 0.815745 O\n0.026282 0.781729 0.315745 O\n0.445788 0.840134 0.372134 O\n0.054212 0.840134 0.872134 O\n0.554212 0.159866 0.627866 O\n0.945788 0.159866 0.127866 O\n0.376239 0.152353 0.347928 O\n0.123761 0.152353 0.847928 O\n0.623761 0.847647 0.652072 O\n0.876239 0.847647 0.152072 O\n0.427458 0.681133 0.572685 O\n0.072542 0.681133 0.072685 O\n0.572542 0.318867 0.427315 O\n0.927458 0.318867 0.927315 O\n0.375200 0.035345 0.547240 O\n0.124800 0.035345 0.047240 O\n0.624800 0.964655 0.452760 O\n0.875200 0.964655 0.952760 O\n0.498250 0.873648 0.156791 O\n0.001750 0.873648 0.656791 O\n0.501750 0.126352 0.843209 O\n0.998250 0.126352 0.343209 O\n0.440311 0.203794 0.972384 O\n0.059689 0.203794 0.472384 O\n0.559689 0.796206 0.027616 O\n0.940311 0.796206 0.527616 O\n0.198317 0.335942 0.294454 O\n0.301683 0.335942 0.794454 O\n0.801683 0.664058 0.705546 O\n0.698317 0.664058 0.205546 O\n0.142137 0.522265 0.859069 O\n0.357863 0.522265 0.359069 O\n0.857863 0.477735 0.140931 O\n0.642137 0.477735 0.640931 O\n",
"nsites": 92,
"nelements": 7,
"elements": [
"K",
"U",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-K-N-O-S-U",
"density": 2.7765354645670346,
"density_atomic": 0.06695660330981401,
"volume": 1374.0243001023814,
"volume_molar": 8.994095372692417,
"formula_full": "K8 U4 H16 C16 S4 N4 O40",
"formula_reduced": "K2UH4C4SNO10",
"formula_anonymous": "ABCD2E4F4G10",
"energy": -664.2128482300001,
"energy_per_atom": -7.219704872065218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -633.27684823,
"band_gap": 1.6629,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:42.124000Z",
"spacegroup": 14
},
{
"id": "mp-1221911",
"created_at": "2022-09-04T14:46:59.519957Z",
"structure_string": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2\n1.0\n10.461503 0.000000 0.000000\n0.000000 7.431617 0.000000\n0.000000 3.812119 10.401903\nNa Ca Zr Nb Si O F\n4 8 2 2 8 34 2\ndirect\n0.421779 0.957499 0.361835 Na\n0.921779 0.042501 0.638165 Na\n0.568638 0.300573 0.125964 Na\n0.068638 0.699427 0.874036 Na\n0.221383 0.299528 0.158547 Ca\n0.721383 0.700472 0.841453 Ca\n0.190487 0.802354 0.149899 Ca\n0.690487 0.197646 0.850101 Ca\n0.426968 0.433273 0.367312 Ca\n0.926968 0.566727 0.632688 Ca\n0.805775 0.955677 0.349365 Ca\n0.305775 0.044323 0.650635 Ca\n0.809173 0.458648 0.349604 Zr\n0.309173 0.541352 0.650396 Zr\n0.557638 0.794529 0.116813 Nb\n0.057638 0.205471 0.883187 Nb\n0.124848 0.372016 0.430577 Si\n0.624848 0.627984 0.569423 Si\n0.878415 0.804388 0.076627 Si\n0.378415 0.195612 0.923373 Si\n0.125030 0.935472 0.434271 Si\n0.625030 0.064528 0.565729 Si\n0.874013 0.382531 0.070534 Si\n0.374013 0.617469 0.929466 Si\n0.002865 0.937683 0.015902 O\n0.502865 0.062317 0.984098 O\n0.007896 0.312185 0.017928 O\n0.507896 0.687815 0.982072 O\n0.980732 0.859863 0.470542 O\n0.480732 0.140137 0.529458 O\n0.976828 0.408278 0.466151 O\n0.476828 0.591722 0.533849 O\n0.900991 0.614291 0.034742 O\n0.400991 0.385709 0.965258 O\n0.739916 0.891884 0.014716 O\n0.239916 0.108116 0.985284 O\n0.168752 0.975819 0.287362 O\n0.668752 0.024181 0.712638 O\n0.142760 0.136054 0.471554 O\n0.642760 0.863946 0.528446 O\n0.400830 0.267938 0.249865 O\n0.900830 0.732062 0.750135 O\n0.880065 0.738380 0.233670 O\n0.380065 0.261620 0.766330 O\n0.734869 0.589172 0.473284 O\n0.234869 0.410828 0.526716 O\n0.747943 0.355811 0.995851 O\n0.247943 0.644189 0.004149 O\n0.641262 0.567473 0.230047 O\n0.141262 0.432527 0.769953 O\n0.163468 0.487236 0.283702 O\n0.663468 0.512764 0.716298 O\n0.863322 0.291565 0.228947 O\n0.363322 0.708435 0.771053 O\n0.731057 0.198950 0.460240 O\n0.231057 0.801050 0.539760 O\n0.410086 0.762982 0.212160 O\n0.910086 0.237018 0.787840 O\n0.626211 0.962125 0.227295 F\n0.126211 0.037875 0.772705 F\n",
"nsites": 60,
"nelements": 7,
"elements": [
"Na",
"Ca",
"Zr",
"Nb",
"Si",
"O",
"F"
],
"chemical_system": "Ca-F-Na-Nb-O-Si-Zr",
"density": 3.2596711543697348,
"density_atomic": 0.07419267800954146,
"volume": 808.7051392360278,
"volume_molar": 8.11689363635793,
"formula_full": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2",
"formula_reduced": "Na2Ca4ZrNbSi4O17F",
"formula_anonymous": "ABCD2E4F4G17",
"energy": -471.56202743,
"energy_per_atom": -7.859367123833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -447.28002743,
"band_gap": 1.8513999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.909000Z",
"spacegroup": 4
},
{
"id": "mp-6903",
"created_at": "2022-09-04T14:46:25.551571Z",
"structure_string": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2\n1.0\n10.401470 0.000000 0.000000\n0.000000 7.378124 0.000000\n0.000000 3.554812 10.372215\nNa Ca Zr Nb Si O F\n4 8 2 2 8 34 2\ndirect\n0.068099 0.687727 0.878177 Na\n0.568099 0.312273 0.121823 Na\n0.917066 0.552561 0.632412 Na\n0.417066 0.447439 0.367588 Na\n0.683320 0.699656 0.845169 Ca\n0.911347 0.056342 0.632589 Ca\n0.182139 0.799227 0.145037 Ca\n0.682139 0.200773 0.854963 Ca\n0.411347 0.943658 0.367411 Ca\n0.183320 0.300344 0.154831 Ca\n0.297098 0.552236 0.652561 Ca\n0.797098 0.447764 0.347439 Ca\n0.791332 0.946666 0.342186 Zr\n0.291332 0.053334 0.657814 Zr\n0.053144 0.195681 0.866151 Nb\n0.553144 0.804319 0.133849 Nb\n0.374196 0.197382 0.920401 Si\n0.874196 0.802618 0.079599 Si\n0.364733 0.634714 0.927315 Si\n0.864733 0.365286 0.072685 Si\n0.612281 0.563872 0.561432 Si\n0.112281 0.436128 0.438568 Si\n0.613522 0.124857 0.566914 Si\n0.113522 0.875143 0.433086 Si\n0.623529 0.361940 0.522803 O\n0.123529 0.638060 0.477197 O\n0.899552 0.578327 0.085086 O\n0.399552 0.421673 0.914914 O\n0.393095 0.774603 0.214108 O\n0.893095 0.225397 0.785892 O\n0.620186 0.563792 0.221795 O\n0.120186 0.436208 0.778205 O\n0.617014 0.955657 0.243972 O\n0.117014 0.044343 0.756028 O\n0.171021 0.976408 0.289901 O\n0.671021 0.023592 0.710099 O\n0.874562 0.791053 0.232434 O\n0.639692 0.517691 0.713539 O\n0.718280 0.090452 0.463783 O\n0.139692 0.482309 0.286461 O\n0.734570 0.682130 0.474102 O\n0.234570 0.317870 0.525898 O\n0.965786 0.927918 0.458658 O\n0.465786 0.072082 0.541342 O\n0.970194 0.349704 0.487826 O\n0.470194 0.650296 0.512174 O\n0.835428 0.228903 0.221832 O\n0.335428 0.771097 0.778168 O\n0.236396 0.121027 0.991042 O\n0.736396 0.878973 0.008958 O\n0.240744 0.613104 0.019486 O\n0.740744 0.386896 0.980514 O\n0.500857 0.083146 0.993738 O\n0.000857 0.916854 0.006262 O\n0.498026 0.702339 0.979992 O\n0.998026 0.297661 0.020008 O\n0.374562 0.208947 0.767566 O\n0.218280 0.909548 0.536217 O\n0.888502 0.746787 0.758786 F\n0.388502 0.253213 0.241214 F\n",
"nsites": 60,
"nelements": 7,
"elements": [
"Na",
"Ca",
"Zr",
"Nb",
"Si",
"O",
"F"
],
"chemical_system": "Ca-F-Na-Nb-O-Si-Zr",
"density": 3.311706276633133,
"density_atomic": 0.07537703829879949,
"volume": 795.9983750244483,
"volume_molar": 7.989357098547494,
"formula_full": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2",
"formula_reduced": "Na2Ca4ZrNbSi4O17F",
"formula_anonymous": "ABCD2E4F4G17",
"energy": -475.92313483,
"energy_per_atom": -7.932052247166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -451.64113483,
"band_gap": 3.5435000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.450000Z",
"spacegroup": 4
}
]
}