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{
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{
"id": "mp-768598",
"created_at": "2022-09-04T14:45:18.449021Z",
"structure_string": "Na8 Ni4 C4 S4 O28\n1.0\n0.161389 0.000048 5.254145\n9.004788 6.682338 0.044898\n-9.004663 6.682174 -0.044799\nNa Ni C S O\n8 4 4 4 28\ndirect\n0.230735 0.605801 0.391804 Na\n0.230766 0.105781 0.891783 Na\n0.230719 0.358226 0.144217 Na\n0.230787 0.858181 0.644181 Na\n0.769283 0.641767 0.855764 Na\n0.769194 0.141807 0.355794 Na\n0.769279 0.394193 0.608181 Na\n0.769195 0.894209 0.108208 Na\n0.777654 0.052274 0.697900 Ni\n0.222407 0.947824 0.302227 Ni\n0.777333 0.552256 0.197731 Ni\n0.222749 0.447775 0.802305 Ni\n0.722334 0.417271 0.332741 C\n0.722379 0.917184 0.832761 C\n0.277665 0.582726 0.667243 C\n0.277584 0.082813 0.167209 C\n0.723891 0.336763 0.913235 S\n0.723795 0.836800 0.413234 S\n0.276110 0.663257 0.086773 S\n0.276223 0.163201 0.586779 S\n0.310036 0.151912 0.098073 O\n0.310039 0.651842 0.598138 O\n0.689954 0.848067 0.901932 O\n0.689933 0.348136 0.401856 O\n0.947182 0.446738 0.303266 O\n0.947262 0.946633 0.803373 O\n0.052826 0.553242 0.696742 O\n0.052715 0.053367 0.196626 O\n0.531293 0.467014 0.282935 O\n0.531361 0.966977 0.783001 O\n0.468726 0.532983 0.717052 O\n0.468647 0.033028 0.216998 O\n0.157462 0.588962 0.161087 O\n0.157597 0.088954 0.661101 O\n0.842567 0.411026 0.838900 O\n0.842382 0.911043 0.338883 O\n0.438461 0.347936 0.902123 O\n0.438294 0.848046 0.402080 O\n0.561555 0.652052 0.097875 O\n0.561663 0.151940 0.597899 O\n0.805202 0.203766 0.866218 O\n0.805050 0.703786 0.366136 O\n0.805379 0.383792 0.046214 O\n0.805387 0.883807 0.546209 O\n0.194640 0.616187 0.953776 O\n0.194587 0.116202 0.453794 O\n0.194783 0.796248 0.133791 O\n0.194933 0.296205 0.633852 O\n",
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],
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"spacegroup": 11
},
{
"id": "mp-775852",
"created_at": "2022-09-04T14:45:18.662349Z",
"structure_string": "Li8 Sb4 C8 S2 O32\n1.0\n9.580419 0.000000 0.000000\n-0.704942 9.676310 0.000000\n-4.420298 -4.570661 7.474587\nLi Sb C S O\n8 4 8 2 32\ndirect\n0.825003 0.070477 0.750016 Li\n0.852780 0.080173 0.141071 Li\n0.431837 0.064335 0.777919 Li\n0.545312 0.268768 0.194261 Li\n0.831853 0.701161 0.772397 Li\n0.404227 0.625995 0.664283 Li\n0.558614 0.939045 0.267083 Li\n0.199114 0.909138 0.235248 Li\n0.990947 0.511078 0.498221 Sb\n0.986847 0.489606 0.987805 Sb\n0.507937 0.507591 0.018818 Sb\n0.024415 0.991193 0.506576 Sb\n0.838394 0.273663 0.575813 C\n0.757987 0.310298 0.052702 C\n0.798382 0.744191 0.066646 C\n0.742473 0.698219 0.436839 C\n0.224461 0.303961 0.568756 C\n0.209766 0.246289 0.909199 C\n0.215281 0.677441 0.918963 C\n0.200407 0.762271 0.456735 C\n0.386144 0.128045 0.265993 S\n0.631713 0.884267 0.771499 S\n0.815783 0.136704 0.453864 O\n0.886653 0.305987 0.039537 O\n0.841533 0.288017 0.717425 O\n0.735653 0.261954 0.146064 O\n0.855939 0.406098 0.569736 O\n0.441093 0.060979 0.387709 O\n0.451072 0.056245 0.144913 O\n0.651008 0.362772 0.961846 O\n0.801766 0.629449 0.936014 O\n0.857487 0.689754 0.570123 O\n0.201943 0.069962 0.164745 O\n0.459314 0.305873 0.358855 O\n0.222019 0.175260 0.588422 O\n0.353278 0.232804 0.950279 O\n0.658155 0.555488 0.280634 O\n0.898798 0.888775 0.163493 O\n0.361153 0.416069 0.662175 O\n0.072846 0.122373 0.769978 O\n0.687612 0.712545 0.103500 O\n0.719820 0.828122 0.453224 O\n0.593141 0.708621 0.649775 O\n0.818101 0.958139 0.888358 O\n0.196124 0.383428 0.997771 O\n0.083426 0.303800 0.456283 O\n0.358740 0.719990 0.051590 O\n0.556967 0.902260 0.879782 O\n0.570545 0.973862 0.677554 O\n0.228784 0.641253 0.468126 O\n0.195940 0.633770 0.760966 O\n0.146361 0.768806 0.314338 O\n0.084187 0.672052 0.929983 O\n0.214415 0.891582 0.599637 O\n",
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"formula_full": "Li8 Sb4 C8 S2 O32",
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"spacegroup": 1
},
{
"id": "mp-1200831",
"created_at": "2022-09-04T14:45:19.841386Z",
"structure_string": "Al4 H24 C8 Se4 Cl12\n1.0\n6.606856 0.000000 0.000000\n0.000000 11.011038 0.000000\n0.000000 0.000000 13.427082\nAl H C Se Cl\n4 24 8 4 12\ndirect\n0.437606 0.750000 0.942175 Al\n0.562394 0.250000 0.057825 Al\n0.437606 0.250000 0.557825 Al\n0.562394 0.750000 0.442175 Al\n0.044058 0.878723 0.078836 H\n0.955942 0.378723 0.921164 H\n0.044058 0.121277 0.421164 H\n0.955942 0.621277 0.578836 H\n0.955942 0.121277 0.921164 H\n0.044058 0.621277 0.078836 H\n0.955942 0.878723 0.578836 H\n0.044058 0.378723 0.421164 H\n0.245495 0.968473 0.131914 H\n0.754505 0.468473 0.868086 H\n0.245495 0.031527 0.368086 H\n0.754505 0.531527 0.631914 H\n0.754505 0.031527 0.868086 H\n0.245495 0.531527 0.131914 H\n0.754505 0.968473 0.631914 H\n0.245495 0.468473 0.368086 H\n0.089868 0.875140 0.211860 H\n0.910132 0.375140 0.788140 H\n0.089868 0.124860 0.288140 H\n0.910132 0.624860 0.711860 H\n0.910132 0.124860 0.788140 H\n0.089868 0.624860 0.211860 H\n0.910132 0.875140 0.711860 H\n0.089868 0.375140 0.288140 H\n0.158156 0.884294 0.137805 C\n0.841844 0.384294 0.862195 C\n0.158156 0.115706 0.362195 C\n0.841844 0.615706 0.637805 C\n0.841844 0.115706 0.862195 C\n0.158156 0.615706 0.137805 C\n0.841844 0.884294 0.637805 C\n0.158156 0.384294 0.362195 C\n0.352487 0.750000 0.126846 Se\n0.647513 0.250000 0.873154 Se\n0.352487 0.250000 0.373154 Se\n0.647513 0.750000 0.626846 Se\n0.761924 0.750000 0.934003 Cl\n0.238076 0.250000 0.065997 Cl\n0.761924 0.250000 0.565997 Cl\n0.238076 0.750000 0.434003 Cl\n0.316146 0.586026 0.881879 Cl\n0.683854 0.086026 0.118121 Cl\n0.316146 0.413974 0.618121 Cl\n0.683854 0.913974 0.381879 Cl\n0.683854 0.413974 0.118121 Cl\n0.316146 0.913974 0.881879 Cl\n0.683854 0.586026 0.381879 Cl\n0.316146 0.086026 0.618121 Cl\n",
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"formula_full": "Al4 H24 C8 Se4 Cl12",
"formula_reduced": "AlH6C2SeCl3",
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"spacegroup": 57
},
{
"id": "mp-29488",
"created_at": "2022-09-04T14:45:14.686971Z",
"structure_string": "Na8 Zn4 O8\n1.0\n6.041249 0.000000 0.000000\n0.000000 5.794021 0.000000\n0.000000 0.664777 7.796473\nNa Zn O\n8 4 8\ndirect\n0.742063 0.008756 0.972240 Na\n0.242063 0.491244 0.027760 Na\n0.257937 0.991244 0.027760 Na\n0.757937 0.508756 0.972240 Na\n0.355125 0.428703 0.675669 Na\n0.855125 0.071297 0.324331 Na\n0.644875 0.571297 0.324331 Na\n0.144875 0.928703 0.675669 Na\n0.606387 0.855331 0.635524 Zn\n0.106387 0.644669 0.364476 Zn\n0.393613 0.144669 0.364476 Zn\n0.893613 0.355331 0.635524 Zn\n0.035059 0.251405 0.851543 O\n0.535059 0.248595 0.148457 O\n0.964941 0.748595 0.148457 O\n0.464941 0.751405 0.851543 O\n0.877705 0.697701 0.562760 O\n0.377705 0.802299 0.437240 O\n0.122295 0.302299 0.437240 O\n0.622295 0.197701 0.562760 O\n",
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{
"id": "mp-1522665",
"created_at": "2022-09-04T14:45:15.864197Z",
"structure_string": "Ba8 V4 Bi4 O24\n1.0\n8.480637 -0.000000 0.000000\n-0.000000 8.480637 0.000000\n-0.000000 0.000000 8.480637\nBa V Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.000000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 V\n0.250000 0.750000 0.750000 V\n0.750000 0.250000 0.750000 V\n0.750000 0.750000 0.250000 V\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.233258 0.268150 0.475476 O\n0.233258 0.731850 0.524524 O\n0.766742 0.268150 0.524524 O\n0.766742 0.731850 0.475476 O\n0.268150 0.475476 0.233258 O\n0.731850 0.524524 0.233258 O\n0.268150 0.524524 0.766742 O\n0.731850 0.475476 0.766742 O\n0.475476 0.233258 0.268150 O\n0.524524 0.233258 0.731850 O\n0.524524 0.766742 0.268150 O\n0.475476 0.766742 0.731850 O\n0.266742 0.231850 0.024524 O\n0.266742 0.768150 0.975476 O\n0.733258 0.231850 0.975476 O\n0.733258 0.768150 0.024524 O\n0.231850 0.024524 0.266742 O\n0.768150 0.975476 0.266742 O\n0.231850 0.975476 0.733258 O\n0.768150 0.024524 0.733258 O\n0.024524 0.266742 0.231850 O\n0.975476 0.266742 0.768150 O\n0.975476 0.733258 0.231850 O\n0.024524 0.733258 0.768150 O\n",
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"energy": -287.44958907,
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},
{
"id": "mp-28761",
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"structure_string": "Sr14 Mn8 O30\n1.0\n9.783564 0.000000 0.000000\n0.000000 6.891875 0.000000\n0.000000 0.314593 10.567299\nSr Mn O\n14 8 30\ndirect\n0.504069 0.819781 0.332022 Sr\n0.004069 0.180219 0.167978 Sr\n0.495931 0.180219 0.667978 Sr\n0.995931 0.819781 0.832022 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.649341 0.648503 0.695325 Sr\n0.149341 0.351497 0.804675 Sr\n0.350659 0.351497 0.304675 Sr\n0.850659 0.648503 0.195325 Sr\n0.685772 0.001356 0.964637 Sr\n0.185772 0.998644 0.535363 Sr\n0.314228 0.998644 0.035363 Sr\n0.814228 0.001356 0.464637 Sr\n0.668815 0.219718 0.219573 Mn\n0.168815 0.780282 0.280427 Mn\n0.331185 0.780282 0.780427 Mn\n0.831185 0.219718 0.719573 Mn\n0.667289 0.423348 0.425672 Mn\n0.167289 0.576652 0.074328 Mn\n0.332711 0.576652 0.574328 Mn\n0.832711 0.423348 0.925672 Mn\n0.746211 0.971712 0.210481 O\n0.246211 0.028288 0.289519 O\n0.253789 0.028288 0.789519 O\n0.753789 0.971712 0.710481 O\n0.518699 0.161988 0.120010 O\n0.018699 0.838012 0.379990 O\n0.481301 0.838012 0.879990 O\n0.981301 0.161988 0.620010 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.718853 0.313218 0.584523 O\n0.218853 0.686782 0.915477 O\n0.281147 0.686782 0.415477 O\n0.781147 0.313218 0.084523 O\n0.582597 0.160786 0.382203 O\n0.082597 0.839214 0.117797 O\n0.417403 0.839214 0.617797 O\n0.917403 0.160786 0.882203 O\n0.746360 0.663145 0.453978 O\n0.246360 0.336855 0.046022 O\n0.253640 0.336855 0.546022 O\n0.753640 0.663145 0.953978 O\n0.898457 0.492595 0.753222 O\n0.398457 0.507405 0.746778 O\n0.101543 0.507405 0.246778 O\n0.601543 0.492595 0.253222 O\n0.825634 0.320768 0.338292 O\n0.325634 0.679232 0.161708 O\n0.174366 0.679232 0.661708 O\n0.674366 0.320768 0.838292 O\n",
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},
{
"id": "mp-850210",
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"structure_string": "Li6 V2 O6 F4\n1.0\n2.874397 4.536643 0.000000\n-2.874397 4.536643 0.000000\n0.000000 1.047520 8.000317\nLi V O F\n6 2 6 4\ndirect\n0.571568 0.245297 0.435946 Li\n0.784084 0.427473 0.067778 Li\n0.245297 0.571568 0.935946 Li\n0.427473 0.784084 0.567778 Li\n0.971719 0.623090 0.631146 Li\n0.623090 0.971719 0.131146 Li\n0.828144 0.168958 0.753871 V\n0.168958 0.828144 0.253871 V\n0.862257 0.120981 0.246716 O\n0.600679 0.227817 0.928321 O\n0.227817 0.600679 0.428321 O\n0.748257 0.413818 0.587309 O\n0.413818 0.748257 0.087309 O\n0.120981 0.862257 0.746716 O\n0.376548 0.008501 0.346669 F\n0.008501 0.376548 0.846669 F\n0.981450 0.642749 0.135523 F\n0.642749 0.981450 0.635523 F\n",
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