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{
"id": "mp-1183871",
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},
{
"id": "mp-1198429",
"created_at": "2022-09-04T14:41:33.203731Z",
"structure_string": "Na12 Mg6 B18 P12 H6 O76\n1.0\n5.933252 -10.276694 0.000000\n5.933252 10.276694 0.000000\n0.000000 0.000000 12.207213\nNa Mg B P H O\n12 6 18 12 6 76\ndirect\n0.287167 0.018185 0.822736 Na\n0.981815 0.268982 0.822736 Na\n0.731018 0.712833 0.822736 Na\n0.712833 0.981815 0.322736 Na\n0.018185 0.731018 0.322736 Na\n0.268982 0.287167 0.322736 Na\n0.666667 0.333333 0.176252 Na\n0.333333 0.666667 0.676252 Na\n0.333333 0.666667 0.163776 Na\n0.666667 0.333333 0.663776 Na\n0.000000 0.000000 0.078564 Na\n0.000000 0.000000 0.578564 Na\n0.499621 0.495665 0.077195 Mg\n0.504335 0.003956 0.077195 Mg\n0.996044 0.500379 0.077195 Mg\n0.500379 0.504335 0.577195 Mg\n0.495665 0.996044 0.577195 Mg\n0.003956 0.499621 0.577195 Mg\n0.296453 0.043681 0.225666 B\n0.956319 0.252772 0.225666 B\n0.747228 0.703547 0.225666 B\n0.703547 0.956319 0.725666 B\n0.043681 0.747228 0.725666 B\n0.252772 0.296453 0.725666 B\n0.407370 0.494574 0.829535 B\n0.505426 0.912796 0.829535 B\n0.087204 0.592630 0.829535 B\n0.592630 0.505426 0.329535 B\n0.494574 0.087204 0.329535 B\n0.912796 0.407370 0.329535 B\n0.039088 0.747632 0.927665 B\n0.252368 0.291456 0.927665 B\n0.708544 0.960912 0.927665 B\n0.960912 0.252368 0.427665 B\n0.747632 0.708544 0.427665 B\n0.291456 0.039088 0.427665 B\n0.803953 0.617774 0.037346 P\n0.382226 0.186179 0.037346 P\n0.813821 0.196047 0.037346 P\n0.196047 0.382226 0.537346 P\n0.617774 0.813821 0.537346 P\n0.186179 0.803953 0.537346 P\n0.188379 0.808042 0.112705 P\n0.191958 0.380338 0.112705 P\n0.619662 0.811621 0.112705 P\n0.811621 0.191958 0.612706 P\n0.808042 0.619662 0.612706 P\n0.380338 0.188379 0.612706 P\n0.337554 0.836839 0.907748 H\n0.163161 0.500715 0.907748 H\n0.499285 0.662446 0.907748 H\n0.662446 0.163161 0.407748 H\n0.836839 0.499285 0.407748 H\n0.500715 0.337554 0.407748 H\n0.834940 0.717953 0.134829 O\n0.282047 0.116986 0.134829 O\n0.883014 0.165060 0.134829 O\n0.165060 0.282047 0.634829 O\n0.717953 0.883014 0.634829 O\n0.116986 0.834940 0.634829 O\n0.669008 0.573107 0.990964 O\n0.426893 0.095901 0.990964 O\n0.904099 0.330992 0.990964 O\n0.330992 0.426893 0.490964 O\n0.573107 0.904099 0.490964 O\n0.095901 0.669008 0.490964 O\n0.899840 0.704364 0.943986 O\n0.295636 0.195476 0.943986 O\n0.804524 0.100160 0.943986 O\n0.100160 0.295636 0.443986 O\n0.704364 0.804524 0.443986 O\n0.195476 0.899840 0.443986 O\n0.202744 0.902246 0.208661 O\n0.097754 0.300498 0.208661 O\n0.699502 0.797256 0.208661 O\n0.797256 0.097754 0.708661 O\n0.902246 0.699502 0.708661 O\n0.300498 0.202744 0.708661 O\n0.830279 0.511231 0.075400 O\n0.488769 0.319048 0.075400 O\n0.680952 0.169721 0.075400 O\n0.169721 0.488769 0.575400 O\n0.511231 0.680952 0.575400 O\n0.319048 0.830279 0.575400 O\n0.105751 0.671790 0.161080 O\n0.328210 0.433961 0.161080 O\n0.566039 0.894249 0.161080 O\n0.894249 0.328210 0.661080 O\n0.671790 0.566039 0.661080 O\n0.433961 0.105751 0.661080 O\n0.320438 0.834007 0.069524 O\n0.165993 0.486431 0.069524 O\n0.513569 0.679562 0.069524 O\n0.679562 0.165993 0.569524 O\n0.834007 0.513569 0.569524 O\n0.486431 0.320438 0.569524 O\n0.629964 0.565406 0.228375 O\n0.434594 0.064557 0.228375 O\n0.935443 0.370036 0.228375 O\n0.370036 0.434594 0.728375 O\n0.565406 0.935443 0.728375 O\n0.064557 0.629964 0.728375 O\n0.084990 0.818458 0.826689 O\n0.181542 0.266532 0.826689 O\n0.733468 0.915010 0.826689 O\n0.915010 0.181542 0.326689 O\n0.818458 0.733468 0.326689 O\n0.266532 0.084990 0.326689 O\n0.368648 0.427375 0.927204 O\n0.572625 0.941272 0.927204 O\n0.058728 0.631352 0.927204 O\n0.631352 0.572625 0.427204 O\n0.427375 0.058728 0.427204 O\n0.941272 0.368648 0.427204 O\n0.371027 0.856627 0.831848 O\n0.143373 0.514399 0.831848 O\n0.485601 0.628973 0.831848 O\n0.628973 0.143373 0.331848 O\n0.856627 0.485601 0.331848 O\n0.514399 0.371027 0.331848 O\n0.113525 0.836412 0.019694 O\n0.163588 0.277113 0.019694 O\n0.722887 0.886475 0.019694 O\n0.886475 0.163588 0.519694 O\n0.836412 0.722887 0.519694 O\n0.277113 0.113525 0.519694 O\n0.333333 0.666667 0.364429 O\n0.666667 0.333333 0.864429 O\n0.000000 0.000000 0.289883 O\n0.000000 0.000000 0.789883 O\n",
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"formula_full": "Na12 Mg6 B18 P12 H6 O76",
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},
{
"id": "mp-603406",
"created_at": "2022-09-04T14:41:33.793962Z",
"structure_string": "Co4 H84 C8 N24 Cl8 O20\n1.0\n9.019814 0.000000 0.000000\n0.000000 10.309197 0.000000\n0.000000 0.000000 14.377493\nCo H C N Cl O\n4 84 8 24 8 20\ndirect\n0.751427 0.486729 0.381682 Co\n0.748573 0.513271 0.881682 Co\n0.251427 0.013271 0.618318 Co\n0.248573 0.986729 0.118318 Co\n0.454961 0.105484 0.512431 H\n0.171532 0.781825 0.034243 H\n0.980934 0.074515 0.636588 H\n0.895129 0.323884 0.948760 H\n0.092887 0.189439 0.098432 H\n0.907869 0.337310 0.806903 H\n0.260152 0.132501 0.259674 H\n0.760152 0.367499 0.740326 H\n0.328468 0.218175 0.534243 H\n0.032704 0.107162 0.190539 H\n0.239848 0.867499 0.759674 H\n0.903725 0.466929 0.738829 H\n0.596275 0.533071 0.238829 H\n0.984721 0.059648 0.084762 H\n0.261530 0.507739 0.431073 H\n0.551256 0.355261 0.457093 H\n0.019066 0.574515 0.863412 H\n0.407869 0.162690 0.193097 H\n0.519066 0.925485 0.136588 H\n0.412326 0.790039 0.145790 H\n0.604871 0.676116 0.448760 H\n0.260043 0.535549 0.760650 H\n0.588377 0.692841 0.812521 H\n0.593601 0.549928 0.520181 H\n0.403725 0.033071 0.261171 H\n0.174193 0.377568 0.867227 H\n0.760043 0.964451 0.239350 H\n0.291901 0.105322 0.457121 H\n0.051256 0.144739 0.542907 H\n0.239957 0.464451 0.260650 H\n0.532704 0.392838 0.809461 H\n0.238470 0.492261 0.931073 H\n0.092131 0.837310 0.693097 H\n0.407113 0.810561 0.598432 H\n0.906399 0.450072 0.020181 H\n0.738470 0.007739 0.068927 H\n0.406399 0.049928 0.979819 H\n0.104167 0.929100 0.263142 H\n0.448744 0.855261 0.042907 H\n0.742328 0.674515 0.749100 H\n0.745969 0.639472 0.519578 H\n0.411623 0.192841 0.687479 H\n0.096275 0.966929 0.761171 H\n0.592131 0.662690 0.306903 H\n0.242328 0.825485 0.250900 H\n0.325807 0.622432 0.367227 H\n0.674193 0.122432 0.132773 H\n0.828468 0.281825 0.465757 H\n0.907113 0.689439 0.401568 H\n0.604167 0.570900 0.736858 H\n0.015279 0.559648 0.415238 H\n0.739957 0.035549 0.739350 H\n0.208099 0.894678 0.957121 H\n0.545039 0.605484 0.987569 H\n0.757672 0.325485 0.249100 H\n0.967296 0.607162 0.309461 H\n0.895833 0.429100 0.236858 H\n0.911623 0.307159 0.312521 H\n0.754031 0.360528 0.019578 H\n0.093601 0.950072 0.479819 H\n0.825807 0.877568 0.632773 H\n0.104871 0.823884 0.551240 H\n0.592887 0.310561 0.901568 H\n0.257672 0.174515 0.750900 H\n0.395129 0.176116 0.051240 H\n0.761530 0.992261 0.568927 H\n0.395833 0.070900 0.763142 H\n0.515279 0.940352 0.584762 H\n0.671532 0.718175 0.965757 H\n0.087674 0.209961 0.645790 H\n0.587674 0.290039 0.354210 H\n0.954961 0.394516 0.487569 H\n0.045039 0.894516 0.012431 H\n0.739848 0.632501 0.240326 H\n0.245969 0.860528 0.480422 H\n0.254031 0.139472 0.980422 H\n0.467296 0.892838 0.690539 H\n0.484721 0.440352 0.915238 H\n0.912326 0.709961 0.854210 H\n0.088377 0.807159 0.187479 H\n0.948744 0.644739 0.957093 H\n0.480934 0.425485 0.363412 H\n0.708099 0.605322 0.042879 H\n0.791901 0.394678 0.542879 H\n0.282192 0.570171 0.627659 C\n0.717808 0.070171 0.872341 C\n0.192803 0.443864 0.607439 C\n0.807197 0.943864 0.892561 C\n0.307197 0.556136 0.107439 C\n0.782192 0.929829 0.372341 C\n0.692803 0.056136 0.392561 C\n0.217808 0.429829 0.127659 C\n0.927048 0.622418 0.888650 N\n0.164315 0.899278 0.522556 N\n0.160867 0.874487 0.214981 N\n0.572952 0.377582 0.388650 N\n0.430057 0.902655 0.623268 N\n0.159997 0.909823 0.718221 N\n0.339133 0.125513 0.714981 N\n0.835685 0.399278 0.977444 N\n0.660867 0.625513 0.785019 N\n0.842637 0.378658 0.479876 N\n0.840003 0.409823 0.781779 N\n0.157363 0.878658 0.020124 N\n0.569943 0.402655 0.876732 N\n0.335685 0.100722 0.022556 N\n0.930057 0.597345 0.376732 N\n0.664315 0.600722 0.477444 N\n0.657363 0.621342 0.979876 N\n0.340003 0.090177 0.218221 N\n0.659997 0.590177 0.281779 N\n0.069943 0.097345 0.123268 N\n0.427048 0.877582 0.111350 N\n0.342637 0.121342 0.520124 N\n0.072952 0.122418 0.611350 N\n0.839133 0.374487 0.285019 N\n0.556787 0.369098 0.633835 Cl\n0.065821 0.172929 0.871363 Cl\n0.943213 0.630902 0.133835 Cl\n0.443213 0.869098 0.866165 Cl\n0.056787 0.130902 0.366165 Cl\n0.565821 0.327071 0.128637 Cl\n0.934179 0.672929 0.628637 Cl\n0.434179 0.827071 0.371363 Cl\n0.710061 0.032109 0.133742 O\n0.824183 0.914538 0.977498 O\n0.210061 0.467891 0.866258 O\n0.669027 0.139830 0.935249 O\n0.330973 0.639830 0.564751 O\n0.196561 0.398698 0.216202 O\n0.830973 0.860170 0.435249 O\n0.324183 0.585462 0.022502 O\n0.646357 0.117888 0.322450 O\n0.853643 0.882112 0.822450 O\n0.696561 0.101302 0.783798 O\n0.353643 0.617888 0.177550 O\n0.303439 0.601302 0.716202 O\n0.175817 0.414538 0.522502 O\n0.289939 0.532109 0.366258 O\n0.146357 0.382112 0.677550 O\n0.803439 0.898698 0.283798 O\n0.169027 0.360170 0.064751 O\n0.789939 0.967891 0.633742 O\n0.675817 0.085462 0.477498 O\n",
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"formula_full": "Co4 H84 C8 N24 Cl8 O20",
"formula_reduced": "CoH21C2N6Cl2O5",
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"energy": -822.94368905,
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"spacegroup": 19
},
{
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"created_at": "2022-09-04T14:41:36.161811Z",
"structure_string": "K1 Li1 Ni2 H3 Se2 O10\n1.0\n4.595012 3.140512 -2.160327\n4.595022 -3.140505 -2.160328\n0.589008 0.000014 -8.047799\nK Li Ni H Se O\n1 1 2 3 2 10\ndirect\n0.514054 0.514052 0.532142 K\n0.403600 0.403600 0.262014 Li\n0.987992 0.499541 0.017257 Ni\n0.499542 0.987991 0.017256 Ni\n0.755337 0.755337 0.719829 H\n0.200685 0.200682 0.254320 H\n0.590494 0.590493 0.892020 H\n0.910062 0.910063 0.263951 Se\n0.089581 0.089585 0.745277 Se\n0.793114 0.793115 0.500202 O\n0.203368 0.203373 0.512777 O\n0.253144 0.786134 0.233552 O\n0.786135 0.253144 0.233554 O\n0.760813 0.198900 0.810017 O\n0.198898 0.760816 0.810016 O\n0.696130 0.696129 0.864608 O\n0.291219 0.291215 0.128348 O\n0.749038 0.749037 0.174402 O\n0.200272 0.200272 0.851125 O\n",
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{
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},
{
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"structure_string": "Na3 Ca1 Al4 Si8 Cl1 O24\n1.0\n7.694280 0.000000 0.000000\n3.788816 8.621864 0.000000\n3.845965 0.013937 8.617980\nNa Ca Al Si Cl O\n3 1 4 8 1 24\ndirect\n0.858884 0.347838 0.918998 Na\n0.771398 0.085666 0.347324 Na\n0.134848 0.648851 0.081405 Na\n0.217519 0.918317 0.646282 Ca\n0.866130 0.422431 0.254307 Al\n0.546090 0.576614 0.744236 Al\n0.285082 0.258460 0.578895 Al\n0.122541 0.743222 0.425502 Al\n0.662521 0.747744 0.931055 Si\n0.875984 0.248344 0.576919 Si\n0.710483 0.752459 0.420071 Si\n0.586184 0.071027 0.750682 Si\n0.415531 0.928396 0.251891 Si\n0.458090 0.419961 0.249926 Si\n0.124083 0.581574 0.755525 Si\n0.338112 0.252063 0.071520 Si\n0.028472 0.987135 0.959287 Cl\n0.904457 0.647396 0.905247 O\n0.874397 0.817480 0.424676 O\n0.650639 0.894194 0.812333 O\n0.828349 0.606897 0.303289 O\n0.566982 0.637914 0.899515 O\n0.738717 0.393893 0.694568 O\n0.865517 0.286762 0.406609 O\n0.802769 0.097987 0.643966 O\n0.556425 0.716489 0.590974 O\n0.555187 0.904922 0.354973 O\n0.687488 0.422837 0.184012 O\n0.544439 0.806597 0.109653 O\n0.462397 0.192740 0.893435 O\n0.296547 0.577970 0.814992 O\n0.451163 0.097369 0.646905 O\n0.437077 0.297869 0.393771 O\n0.212730 0.897152 0.373484 O\n0.125059 0.709201 0.614223 O\n0.272830 0.588688 0.295703 O\n0.449113 0.355342 0.100732 O\n0.147847 0.415552 0.707020 O\n0.355266 0.104641 0.189921 O\n0.109515 0.181085 0.577304 O\n0.103140 0.358919 0.098868 O\n",
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{
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"structure_string": "Ga2 H40 C4 S4 N2 O28\n1.0\n10.629892 0.000000 0.000000\n0.000000 6.511581 0.000000\n0.000000 4.494745 11.625785\nGa H C S N O\n2 40 4 4 2 28\ndirect\n0.745322 0.507812 0.500901 Ga\n0.254678 0.507812 0.000901 Ga\n0.197753 0.757847 0.504959 H\n0.067390 0.499351 0.142379 H\n0.271855 0.080102 0.119445 H\n0.802247 0.757847 0.004959 H\n0.412672 0.187288 0.096231 H\n0.222278 0.329033 0.841168 H\n0.283420 0.685571 0.158360 H\n0.932610 0.499351 0.642379 H\n0.683584 0.179263 0.878348 H\n0.693734 0.097750 0.084374 H\n0.850408 0.136430 0.880341 H\n0.787732 0.359347 0.917033 H\n0.447440 0.743869 0.886747 H\n0.252562 0.708144 0.648642 H\n0.587328 0.187288 0.596231 H\n0.728145 0.080102 0.619445 H\n0.404126 0.518199 0.173114 H\n0.316416 0.179263 0.378348 H\n0.639278 0.800485 0.030088 H\n0.777722 0.329033 0.341168 H\n0.149592 0.136430 0.380341 H\n0.562556 0.515584 0.357618 H\n0.747438 0.708144 0.148642 H\n0.850039 0.044194 0.084238 H\n0.105698 0.504068 0.824556 H\n0.061113 0.267520 0.115530 H\n0.894302 0.504068 0.324556 H\n0.231072 0.933880 0.884438 H\n0.595874 0.518199 0.673114 H\n0.552560 0.743869 0.386747 H\n0.768928 0.933880 0.384438 H\n0.149961 0.044194 0.584238 H\n0.360722 0.800485 0.530088 H\n0.306266 0.097750 0.584374 H\n0.212268 0.359347 0.417033 H\n0.906772 0.817109 0.404940 H\n0.437444 0.515584 0.857618 H\n0.938887 0.267520 0.615530 H\n0.093228 0.817109 0.904940 H\n0.716580 0.685571 0.658360 H\n0.736062 0.809559 0.057571 C\n0.263938 0.809559 0.557571 C\n0.772111 0.190735 0.920510 C\n0.227889 0.190735 0.420510 C\n0.064502 0.834027 0.234713 S\n0.571547 0.175710 0.263646 S\n0.428453 0.175710 0.763646 S\n0.935498 0.834027 0.734713 S\n0.235506 0.042037 0.543271 N\n0.764494 0.042037 0.043271 N\n0.181645 0.806039 0.937571 O\n0.000604 0.028243 0.147394 O\n0.176252 0.425251 0.876021 O\n0.797630 0.846900 0.708600 O\n0.323133 0.204618 0.066473 O\n0.823748 0.425251 0.376021 O\n0.988592 0.625196 0.728034 O\n0.555061 0.164790 0.146473 O\n0.676867 0.204618 0.566473 O\n0.478280 0.391541 0.762814 O\n0.044003 0.835810 0.352008 O\n0.202370 0.846900 0.208600 O\n0.818355 0.806039 0.437571 O\n0.495269 0.991015 0.851201 O\n0.710121 0.162510 0.289909 O\n0.289879 0.162510 0.789909 O\n0.415765 0.586196 0.914378 O\n0.999396 0.028243 0.647394 O\n0.521720 0.391541 0.262814 O\n0.096939 0.421818 0.090594 O\n0.955997 0.835810 0.852008 O\n0.664390 0.602859 0.620269 O\n0.504731 0.991015 0.351201 O\n0.335610 0.602859 0.120269 O\n0.903061 0.421818 0.590594 O\n0.444939 0.164790 0.646473 O\n0.584235 0.586196 0.414378 O\n0.011408 0.625196 0.228034 O\n",
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"formula_full": "Ga2 H40 C4 S4 N2 O28",
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},
{
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"id": "mp-1195176",
"created_at": "2022-09-04T14:39:28.133881Z",
"structure_string": "Ba8 Na2 Ga4 B16 Cl6 O36\n1.0\n12.277491 0.000000 0.000000\n0.000000 12.277491 0.000000\n0.000000 0.000000 6.958063\nBa Na Ga B Cl O\n8 2 4 16 6 36\ndirect\n0.721209 0.014641 0.667881 Ba\n0.278791 0.985359 0.667881 Ba\n0.778791 0.514641 0.167881 Ba\n0.221209 0.485359 0.167881 Ba\n0.985359 0.278791 0.667881 Ba\n0.014641 0.721209 0.667881 Ba\n0.514641 0.778791 0.167881 Ba\n0.485359 0.221209 0.167881 Ba\n0.000000 0.000000 0.000879 Na\n0.500000 0.500000 0.500879 Na\n0.700350 0.700350 0.673012 Ga\n0.299650 0.299650 0.673012 Ga\n0.799650 0.200350 0.173012 Ga\n0.200350 0.799650 0.173012 Ga\n0.765249 0.961874 0.209675 B\n0.234751 0.038126 0.209675 B\n0.734751 0.461874 0.709675 B\n0.265249 0.538126 0.709675 B\n0.038126 0.234751 0.209675 B\n0.961874 0.765249 0.209675 B\n0.461874 0.734751 0.709675 B\n0.538126 0.265249 0.709675 B\n0.763950 0.763950 0.297729 B\n0.236050 0.236050 0.297729 B\n0.736050 0.263950 0.797729 B\n0.263950 0.736050 0.797729 B\n0.815062 0.815062 0.973026 B\n0.184938 0.184938 0.973026 B\n0.684938 0.315062 0.473026 B\n0.315062 0.684938 0.473026 B\n0.500000 0.000000 0.939162 Cl\n0.000000 0.500000 0.439162 Cl\n0.000000 0.500000 0.939162 Cl\n0.500000 0.000000 0.439162 Cl\n0.000000 0.000000 0.611724 Cl\n0.500000 0.500000 0.111724 Cl\n0.800333 0.800333 0.768555 O\n0.199667 0.199667 0.768555 O\n0.699667 0.300333 0.268555 O\n0.300333 0.699667 0.268555 O\n0.797298 0.935220 0.024169 O\n0.202702 0.064780 0.024169 O\n0.702702 0.435220 0.524169 O\n0.297298 0.564780 0.524169 O\n0.064780 0.202702 0.024169 O\n0.935220 0.797298 0.024169 O\n0.435220 0.702702 0.524169 O\n0.564780 0.297298 0.524169 O\n0.692958 0.692958 0.406989 O\n0.307042 0.307042 0.406989 O\n0.807042 0.192958 0.906989 O\n0.192958 0.807042 0.906989 O\n0.739630 0.881054 0.341736 O\n0.260370 0.118946 0.341736 O\n0.760370 0.381054 0.841736 O\n0.239630 0.618946 0.841736 O\n0.118946 0.260370 0.341736 O\n0.881054 0.739630 0.341736 O\n0.381054 0.760370 0.841736 O\n0.618946 0.239630 0.841736 O\n0.738994 0.566273 0.775459 O\n0.261006 0.433727 0.775459 O\n0.761006 0.066273 0.275459 O\n0.238994 0.933727 0.275459 O\n0.433727 0.261006 0.775459 O\n0.566273 0.738994 0.775459 O\n0.066273 0.761006 0.275459 O\n0.933727 0.238994 0.275459 O\n0.745204 0.745204 0.090837 O\n0.254796 0.254796 0.090837 O\n0.754796 0.245204 0.590837 O\n0.245204 0.754796 0.590837 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
"Ba",
"Na",
"Ga",
"B",
"Cl",
"O"
],
"chemical_system": "B-Ba-Cl-Ga-Na-O",
"density": 3.7762348698646044,
"density_atomic": 0.06864752610480258,
"volume": 1048.8360482223245,
"volume_molar": 8.77255321744026,
"formula_full": "Ba8 Na2 Ga4 B16 Cl6 O36",
"formula_reduced": "Ba4NaGa2B8(ClO6)3",
"formula_anonymous": "AB2C3D4E8F18",
"energy": -536.40454917,
"energy_per_atom": -7.450063182916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -507.98854917,
"band_gap": 4.4547,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.119000Z",
"spacegroup": 102
}
]
}