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{
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"results": [
{
"id": "mp-650695",
"created_at": "2022-09-04T14:42:37.888418Z",
"structure_string": "Os16 Pt8 C72 O72\n1.0\n10.487632 0.000000 0.000000\n0.000000 15.724587 0.000000\n0.000000 0.000000 17.963731\nOs Pt C O\n16 8 72 72\ndirect\n0.237261 0.316936 0.282878 Os\n0.179778 0.818110 0.272273 Os\n0.768954 0.969197 0.122105 Os\n0.179778 0.681890 0.772273 Os\n0.633942 0.381570 0.075019 Os\n0.737261 0.816936 0.217122 Os\n0.633942 0.118430 0.575019 Os\n0.679778 0.318110 0.227727 Os\n0.133942 0.618430 0.924981 Os\n0.268954 0.469197 0.377895 Os\n0.679778 0.181890 0.727727 Os\n0.268954 0.030803 0.877895 Os\n0.237261 0.183064 0.782878 Os\n0.768954 0.530803 0.622105 Os\n0.133942 0.881570 0.424981 Os\n0.737261 0.683064 0.717122 Os\n0.978002 0.598093 0.686560 Pt\n0.978002 0.901907 0.186560 Pt\n0.433578 0.362260 0.169295 Pt\n0.433578 0.137740 0.669295 Pt\n0.478002 0.098093 0.813440 Pt\n0.933578 0.637740 0.830705 Pt\n0.478002 0.401907 0.313440 Pt\n0.933578 0.862260 0.330705 Pt\n0.135544 0.105074 0.721770 C\n0.726426 0.774643 0.788026 C\n0.092528 0.006026 0.895569 C\n0.759054 0.070650 0.745618 C\n0.305943 0.881119 0.461428 C\n0.132499 0.500356 0.888636 C\n0.832765 0.269427 0.188051 C\n0.259054 0.570650 0.754382 C\n0.071558 0.718548 0.289908 C\n0.274207 0.383609 0.457617 C\n0.632499 0.000356 0.611364 C\n0.055179 0.579120 0.014283 C\n0.286427 0.965862 0.785559 C\n0.135544 0.394926 0.221770 C\n0.336980 0.560596 0.435841 C\n0.195499 0.713785 0.669661 C\n0.571558 0.218548 0.210092 C\n0.805943 0.118881 0.538572 C\n0.856812 0.746258 0.653598 C\n0.336980 0.939404 0.935841 C\n0.305943 0.618881 0.961428 C\n0.571558 0.281452 0.710092 C\n0.695499 0.213785 0.830339 C\n0.635544 0.894926 0.278230 C\n0.104804 0.738552 0.947848 C\n0.259054 0.929350 0.254382 C\n0.076051 0.534811 0.621403 C\n0.604804 0.261448 0.052152 C\n0.093620 0.213060 0.843564 C\n0.093620 0.286940 0.343564 C\n0.332765 0.730573 0.811949 C\n0.576051 0.034811 0.878597 C\n0.286427 0.534138 0.285559 C\n0.076051 0.965189 0.121403 C\n0.071558 0.781452 0.789908 C\n0.332765 0.769427 0.311949 C\n0.321265 0.383616 0.092238 C\n0.321265 0.116384 0.592238 C\n0.836980 0.439404 0.564159 C\n0.593620 0.713060 0.656436 C\n0.774207 0.616391 0.542383 C\n0.632499 0.499644 0.111364 C\n0.593620 0.786940 0.156436 C\n0.555179 0.420880 0.985717 C\n0.635544 0.605074 0.778230 C\n0.832765 0.230573 0.688051 C\n0.726426 0.725357 0.288026 C\n0.104804 0.761448 0.447848 C\n0.786427 0.034138 0.214441 C\n0.555179 0.079120 0.485717 C\n0.132499 0.999644 0.388636 C\n0.805943 0.381119 0.038572 C\n0.092528 0.493974 0.395569 C\n0.592528 0.993974 0.104431 C\n0.226426 0.274643 0.711974 C\n0.055179 0.920880 0.514283 C\n0.759054 0.429350 0.245618 C\n0.786427 0.465862 0.714441 C\n0.356812 0.246258 0.846402 C\n0.356812 0.253742 0.346402 C\n0.604804 0.238552 0.552152 C\n0.226426 0.225357 0.211974 C\n0.836980 0.060596 0.064159 C\n0.195499 0.786215 0.169661 C\n0.821265 0.883616 0.407762 C\n0.774207 0.883609 0.042383 C\n0.592528 0.506026 0.604431 C\n0.274207 0.116391 0.957617 C\n0.821265 0.616384 0.907762 C\n0.695499 0.286215 0.330339 C\n0.576051 0.465189 0.378597 C\n0.856812 0.753742 0.153598 C\n0.126280 0.429028 0.872912 O\n0.213227 0.330981 0.670961 O\n0.484859 0.493619 0.593790 O\n0.910580 0.121948 0.517739 O\n0.711132 0.236819 0.891190 O\n0.567692 0.938049 0.312594 O\n0.754467 0.603227 0.958295 O\n0.637200 0.505727 0.419483 O\n0.637200 0.994273 0.919483 O\n0.794348 0.424574 0.767957 O\n0.254467 0.396773 0.041705 O\n0.984859 0.993619 0.906210 O\n0.294348 0.924574 0.732043 O\n0.067692 0.438049 0.187406 O\n0.067692 0.061951 0.687406 O\n0.415333 0.290130 0.885739 O\n0.910580 0.378052 0.017739 O\n0.376284 0.882132 0.969628 O\n0.425745 0.738792 0.335130 O\n0.713227 0.669019 0.329039 O\n0.213227 0.169019 0.170961 O\n0.810851 0.007537 0.759913 O\n0.567692 0.561951 0.812594 O\n0.876284 0.117868 0.030372 O\n0.425745 0.761208 0.835130 O\n0.126280 0.070972 0.372912 O\n0.515550 0.345061 0.705179 O\n0.410580 0.878052 0.482261 O\n0.274594 0.167912 0.003693 O\n0.254467 0.103227 0.541705 O\n0.810851 0.492463 0.259913 O\n0.015550 0.845061 0.794821 O\n0.376284 0.617868 0.469628 O\n0.084923 0.690970 0.462750 O\n0.984859 0.506381 0.406210 O\n0.415333 0.209870 0.385739 O\n0.711132 0.263181 0.391190 O\n0.507574 0.767496 0.119354 O\n0.211132 0.763181 0.108810 O\n0.915333 0.709870 0.114261 O\n0.925745 0.238792 0.164870 O\n0.584923 0.309030 0.537250 O\n0.507574 0.732504 0.619354 O\n0.007574 0.267496 0.380646 O\n0.484859 0.006381 0.093790 O\n0.774594 0.667912 0.496307 O\n0.137200 0.005727 0.080517 O\n0.915333 0.790130 0.614261 O\n0.713227 0.830981 0.829039 O\n0.774594 0.832088 0.996307 O\n0.506383 0.052596 0.432663 O\n0.515550 0.154939 0.205179 O\n0.506383 0.447404 0.932663 O\n0.015550 0.654939 0.294821 O\n0.007574 0.232504 0.880646 O\n0.925745 0.261208 0.664870 O\n0.294348 0.575426 0.232043 O\n0.626280 0.570972 0.127088 O\n0.310851 0.507537 0.740087 O\n0.876284 0.382132 0.530372 O\n0.310851 0.992463 0.240087 O\n0.211132 0.736819 0.608810 O\n0.006383 0.947404 0.567337 O\n0.754467 0.896773 0.458295 O\n0.794348 0.075426 0.267957 O\n0.626280 0.929028 0.627088 O\n0.084923 0.809030 0.962750 O\n0.137200 0.494273 0.580517 O\n0.006383 0.552596 0.067337 O\n0.274594 0.332088 0.503693 O\n0.410580 0.621948 0.982261 O\n0.584923 0.190970 0.037250 O\n",
"nsites": 168,
"nelements": 4,
"elements": [
"Os",
"Pt",
"C",
"O"
],
"chemical_system": "C-O-Os-Pt",
"density": 3.711287933204147,
"density_atomic": 0.05670953039676534,
"volume": 2962.4650182182177,
"volume_molar": 10.619274604932185,
"formula_full": "Os16 Pt8 C72 O72",
"formula_reduced": "Os2Pt(CO)9",
"formula_anonymous": "AB2C9D9",
"energy": -1402.99504635,
"energy_per_atom": -8.35116099017857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1353.53104635,
"band_gap": 2.2001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.175000Z",
"spacegroup": 33
},
{
"id": "mp-1196568",
"created_at": "2022-09-04T14:40:58.585739Z",
"structure_string": "Sm4 H40 C24 S24 N12 O68 F72\n1.0\n-13.298194 0.000000 1.053225\n0.008681 0.000000 -13.294895\n0.000000 -18.913117 0.000000\nSm H C S N O F\n4 40 24 24 12 68 72\ndirect\n0.150801 0.212346 0.253138 Sm\n0.650801 0.712346 0.246862 Sm\n0.849199 0.787654 0.746862 Sm\n0.349199 0.287654 0.753138 Sm\n0.348461 0.102642 0.231720 H\n0.848461 0.602642 0.268280 H\n0.651539 0.897358 0.768280 H\n0.151539 0.397358 0.731720 H\n0.364554 0.215481 0.202592 H\n0.864554 0.715481 0.297408 H\n0.635446 0.784519 0.797408 H\n0.135446 0.284519 0.702592 H\n0.103957 0.186896 0.414388 H\n0.603957 0.686896 0.085612 H\n0.896043 0.813104 0.585612 H\n0.396043 0.313104 0.914388 H\n0.212548 0.240998 0.407835 H\n0.712548 0.740998 0.092165 H\n0.787452 0.759002 0.592165 H\n0.287452 0.259002 0.907835 H\n0.177167 0.984453 0.252049 H\n0.677167 0.484453 0.247951 H\n0.822833 0.015547 0.747951 H\n0.322833 0.515547 0.752049 H\n0.125096 0.006795 0.326153 H\n0.625096 0.506795 0.173847 H\n0.874904 0.993205 0.673847 H\n0.374904 0.493205 0.826153 H\n0.958138 0.075754 0.273891 H\n0.458138 0.575754 0.226109 H\n0.041862 0.924246 0.726109 H\n0.541862 0.424246 0.773891 H\n0.930002 0.183977 0.300168 H\n0.430002 0.683977 0.199832 H\n0.069998 0.816023 0.699832 H\n0.569998 0.316023 0.800168 H\n0.093179 0.143687 0.101782 H\n0.593179 0.643687 0.398218 H\n0.906821 0.856313 0.898218 H\n0.406821 0.356313 0.601782 H\n0.067322 0.047853 0.147867 H\n0.567322 0.547853 0.352133 H\n0.932678 0.952147 0.852133 H\n0.432678 0.452147 0.647867 H\n0.278695 0.526863 0.365593 C\n0.778695 0.026863 0.134407 C\n0.721305 0.473137 0.634407 C\n0.221305 0.973137 0.865593 C\n0.517201 0.236020 0.403852 C\n0.017201 0.736020 0.096148 C\n0.482799 0.763980 0.596148 C\n0.982799 0.263980 0.903852 C\n0.259461 0.485596 0.091706 C\n0.759461 0.985596 0.408294 C\n0.740539 0.514404 0.908294 C\n0.240539 0.014404 0.591706 C\n0.559298 0.253142 0.114478 C\n0.059298 0.753142 0.385522 C\n0.440702 0.746858 0.885522 C\n0.940702 0.246858 0.614478 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F\n0.358015 0.958470 0.380426 F\n0.141985 0.541530 0.880426 F\n0.641985 0.041530 0.619574 F\n0.981217 0.363034 0.096326 F\n0.481217 0.863034 0.403674 F\n0.018783 0.636966 0.903674 F\n0.518783 0.136966 0.596326 F\n0.954607 0.418246 0.427705 F\n0.454607 0.918246 0.072295 F\n0.045393 0.581754 0.572295 F\n0.545393 0.081754 0.927705 F\n0.802456 0.367052 0.464421 F\n0.302456 0.867052 0.035579 F\n0.197544 0.632948 0.535579 F\n0.697544 0.132948 0.964421 F\n0.834083 0.522150 0.425865 F\n0.334083 0.022150 0.074135 F\n0.165917 0.477850 0.574135 F\n0.665917 0.977850 0.925865 F\n",
"nsites": 244,
"nelements": 7,
"elements": [
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"H",
"C",
"S",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-S-Sm",
"density": 2.1471690480511687,
"density_atomic": 0.07297457948223433,
"volume": 3343.630093262844,
"volume_molar": 8.252381586475726,
"formula_full": "Sm4 H40 C24 S24 N12 O68 F72",
"formula_reduced": "SmH10C6S6N3O17F18",
"formula_anonymous": "AB3C6D6E10F17G18",
"energy": -1435.9013576799998,
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"energy_uncorrected": -1351.58935768,
"band_gap": 5.6686,
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"total_magnetization": 6.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.341000Z",
"spacegroup": 14
},
{
"id": "mp-1199686",
"created_at": "2022-09-04T14:41:49.600609Z",
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"nsites": 256,
"nelements": 6,
"elements": [
"Mo",
"P",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-Mo-N-P",
"density": 1.1284694628796577,
"density_atomic": 0.07105389686152207,
"volume": 3602.898803691541,
"volume_molar": 8.475454585885183,
"formula_full": "Mo4 P16 H152 C52 N16 Cl16",
"formula_reduced": "MoP4H38C13(NCl)4",
"formula_anonymous": "AB4C4D4E13F38",
"energy": -1361.3843855500002,
"energy_per_atom": -5.317907756054688,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1351.56038555,
"band_gap": 2.5373,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0025951,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.492000Z",
"spacegroup": 14
},
{
"id": "mp-1195523",
"created_at": "2022-09-04T14:41:14.300952Z",
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{
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{
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"structure_string": "K22 Nb13 In11 P24 O120\n1.0\n9.484528 -0.013158 0.008530\n-0.013153 9.461978 0.010032\n0.028368 0.032382 33.253121\nK Nb In P O\n22 13 11 24 120\ndirect\n0.001220 0.218320 0.156555 K\n0.004582 0.225741 0.490572 K\n0.004770 0.225799 0.823883 K\n0.225709 0.995655 0.407411 K\n0.225940 0.995396 0.740579 K\n0.271455 0.515118 0.240328 K\n0.274025 0.516143 0.573646 K\n0.273978 0.516541 0.907054 K\n0.485708 0.274343 0.323485 K\n0.483735 0.274151 0.656921 K\n0.480484 0.272933 0.989875 K\n0.518093 0.726218 0.156444 K\n0.516425 0.726100 0.490273 K\n0.516114 0.725941 0.823681 K\n0.727053 0.485673 0.073405 K\n0.725984 0.483694 0.406813 K\n0.726006 0.483706 0.740314 K\n0.774077 0.004622 0.573863 K\n0.773965 0.004055 0.906986 K\n0.992507 0.777971 0.322362 K\n0.995266 0.774200 0.657226 K\n0.999339 0.779617 0.991626 K\n0.104691 0.386282 0.008399 Nb\n0.102593 0.385257 0.341221 Nb\n0.104009 0.385935 0.674697 Nb\n0.374399 0.135645 0.173651 Nb\n0.382654 0.889880 0.259716 Nb\n0.386033 0.896103 0.591395 Nb\n0.385507 0.896224 0.925107 Nb\n0.618868 0.107953 0.089075 Nb\n0.614376 0.103597 0.424345 Nb\n0.613955 0.103950 0.758068 Nb\n0.895699 0.614109 0.508013 Nb\n0.896206 0.618492 0.175025 Nb\n0.896015 0.614179 0.841338 Nb\n0.143045 0.635978 0.091056 In\n0.142460 0.629271 0.425088 In\n0.143196 0.629157 0.758317 In\n0.370733 0.143123 0.508159 In\n0.370539 0.142807 0.841772 In\n0.627483 0.853365 0.007864 In\n0.634257 0.860718 0.340546 In\n0.629425 0.857025 0.674947 In\n0.854722 0.366042 0.257946 In\n0.856884 0.370727 0.591622 In\n0.857258 0.371281 0.925059 In\n0.168902 0.177474 0.257437 P\n0.167040 0.178748 0.590740 P\n0.166726 0.178949 0.924177 P\n0.182618 0.832571 0.174006 P\n0.178968 0.832924 0.507417 P\n0.179095 0.832991 0.840823 P\n0.327873 0.325297 0.088582 P\n0.328201 0.326819 0.421703 P\n0.328198 0.326579 0.755239 P\n0.326170 0.671788 0.005487 P\n0.327863 0.671766 0.339053 P\n0.326656 0.671959 0.671951 P\n0.674694 0.325173 0.171959 P\n0.673982 0.674544 0.255107 P\n0.673337 0.327701 0.505233 P\n0.671763 0.673375 0.588614 P\n0.673471 0.327870 0.838683 P\n0.672005 0.673311 0.921895 P\n0.821964 0.166171 0.007025 P\n0.820758 0.167258 0.340863 P\n0.821172 0.166990 0.674119 P\n0.832130 0.819963 0.090854 P\n0.832874 0.821043 0.424002 P\n0.833007 0.821326 0.757387 P\n0.002566 0.536792 0.134471 O\n0.003137 0.532996 0.467577 O\n0.003258 0.533268 0.800886 O\n0.010937 0.189229 0.249591 O\n0.005814 0.184154 0.917889 O\n0.006316 0.184187 0.584390 O\n0.024846 0.792494 0.180471 O\n0.021975 0.787069 0.514303 O\n0.022034 0.787167 0.847687 O\n0.035049 0.499571 0.048861 O\n0.034730 0.499204 0.381740 O\n0.034610 0.499396 0.715231 O\n0.200387 0.995874 0.168738 O\n0.184631 0.994073 0.500971 O\n0.184567 0.994135 0.834319 O\n0.212984 0.021577 0.597678 O\n0.212637 0.020283 0.265239 O\n0.212926 0.021732 0.930860 O\n0.216820 0.263632 0.627917 O\n0.221260 0.265711 0.293565 O\n0.216316 0.263810 0.961273 O\n0.245105 0.758261 0.136706 O\n0.241985 0.759094 0.469532 O\n0.242003 0.759003 0.802972 O\n0.243582 0.736184 0.040980 O\n0.243050 0.737448 0.374194 O\n0.243374 0.736897 0.707748 O\n0.249929 0.231436 0.218436 O\n0.241139 0.241987 0.552837 O\n0.240583 0.242301 0.886220 O\n0.246064 0.279353 0.050848 O\n0.248814 0.280219 0.382813 O\n0.248644 0.279582 0.716444 O\n0.273529 0.243176 0.127072 O\n0.263071 0.243346 0.457599 O\n0.263380 0.243028 0.791142 O\n0.265460 0.783398 0.211581 O\n0.263546 0.783029 0.544592 O\n0.263725 0.783442 0.878025 O\n0.280689 0.753391 0.299610 O\n0.279660 0.751360 0.633083 O\n0.280786 0.750433 0.966276 O\n0.283208 0.515614 0.331536 O\n0.282547 0.513975 0.665474 O\n0.282625 0.513052 0.998727 O\n0.320991 0.484714 0.097292 O\n0.323217 0.487353 0.428906 O\n0.323504 0.486999 0.762453 O\n0.445847 0.014050 0.214901 O\n0.466785 0.003618 0.550808 O\n0.466653 0.003535 0.884455 O\n0.486193 0.282486 0.081619 O\n0.485696 0.282673 0.415256 O\n0.485851 0.282545 0.748742 O\n0.486665 0.674882 0.012516 O\n0.486640 0.676703 0.679176 O\n0.487346 0.680143 0.345454 O\n0.495465 0.049143 0.134700 O\n0.500041 0.034461 0.464940 O\n0.500358 0.034240 0.798656 O\n0.496535 0.968346 0.297519 O\n0.499495 0.965598 0.631881 O\n0.499962 0.966055 0.965568 O\n0.510744 0.303513 0.178590 O\n0.513234 0.323252 0.512551 O\n0.513338 0.323073 0.845908 O\n0.515375 0.723305 0.248307 O\n0.514220 0.717519 0.582141 O\n0.514605 0.717758 0.915566 O\n0.536130 0.993762 0.052324 O\n0.534115 0.996200 0.383613 O\n0.533467 0.996413 0.717609 O\n0.676470 0.512933 0.595902 O\n0.673857 0.513743 0.262217 O\n0.676590 0.512793 0.929228 O\n0.708658 0.484445 0.165479 O\n0.717607 0.485824 0.498773 O\n0.717634 0.485925 0.832161 O\n0.719916 0.248363 0.466381 O\n0.719802 0.247287 0.132963 O\n0.720364 0.248560 0.799819 O\n0.735544 0.215017 0.045059 O\n0.737087 0.217274 0.378354 O\n0.736510 0.217017 0.711292 O\n0.736626 0.756802 0.624409 O\n0.736562 0.753556 0.291661 O\n0.737504 0.756530 0.957676 O\n0.751251 0.717480 0.215887 O\n0.751454 0.720467 0.549731 O\n0.751527 0.720348 0.883001 O\n0.756885 0.758498 0.053039 O\n0.758520 0.758132 0.386278 O\n0.759031 0.758070 0.719590 O\n0.753357 0.262702 0.208205 O\n0.756540 0.262966 0.541079 O\n0.756556 0.263120 0.874562 O\n0.757544 0.243995 0.303886 O\n0.758100 0.240952 0.636282 O\n0.756222 0.241777 0.970040 O\n0.780859 0.735767 0.128180 O\n0.783300 0.736190 0.461355 O\n0.783119 0.736327 0.794657 O\n0.782257 0.977386 0.098253 O\n0.786908 0.978112 0.431027 O\n0.786989 0.978397 0.764284 O\n0.813194 0.005597 0.001276 O\n0.816426 0.006285 0.335607 O\n0.815454 0.005933 0.667725 O\n0.963125 0.501220 0.215049 O\n0.965425 0.500605 0.548571 O\n0.965693 0.500626 0.881876 O\n0.975815 0.213948 0.014482 O\n0.978725 0.212668 0.347531 O\n0.978121 0.212640 0.681001 O\n0.993795 0.815654 0.417688 O\n0.991258 0.815116 0.084732 O\n0.993754 0.815850 0.750976 O\n0.996921 0.465027 0.300480 O\n0.996763 0.466662 0.634239 O\n0.996709 0.466079 0.967828 O\n",
"nsites": 190,
"nelements": 5,
"elements": [
"K",
"Nb",
"In",
"P",
"O"
],
"chemical_system": "In-K-Nb-O-P",
"density": 3.335453634563727,
"density_atomic": 0.06366857819771285,
"volume": 2984.203595845734,
"volume_molar": 9.458575847726927,
"formula_full": "K22 Nb13 In11 P24 O120",
"formula_reduced": "K22Nb13In11(PO5)24",
"formula_anonymous": "A11B13C22D24E120",
"energy": -1429.56553732,
"energy_per_atom": -7.524029143789473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1347.12553732,
"band_gap": 2.6685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.983000Z",
"spacegroup": 1
}
]
}