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{
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{
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{
"id": "mp-559083",
"created_at": "2022-09-04T14:45:41.287884Z",
"structure_string": "Ca8 Mg4 Si8 O28\n1.0\n7.814110 0.000000 0.000000\n0.000000 9.223470 0.000000\n0.000000 5.240482 8.488008\nCa Mg Si O\n8 4 8 28\ndirect\n0.556165 0.080847 0.198834 Ca\n0.718005 0.569205 0.973831 Ca\n0.781995 0.569205 0.473831 Ca\n0.056165 0.919153 0.301166 Ca\n0.443835 0.919153 0.801166 Ca\n0.943835 0.080847 0.698834 Ca\n0.218005 0.430795 0.526169 Ca\n0.281995 0.430795 0.026169 Ca\n0.896563 0.283939 0.887335 Mg\n0.603437 0.283939 0.387335 Mg\n0.103437 0.716061 0.112665 Mg\n0.396563 0.716061 0.612665 Mg\n0.271270 0.113281 0.416996 Si\n0.960047 0.339724 0.288486 Si\n0.728730 0.886719 0.583004 Si\n0.460047 0.660276 0.211514 Si\n0.771270 0.886719 0.083004 Si\n0.039953 0.660276 0.711514 Si\n0.228730 0.113281 0.916996 Si\n0.539953 0.339724 0.788486 Si\n0.727467 0.322441 0.725465 O\n0.562442 0.504001 0.359661 O\n0.071488 0.159948 0.340624 O\n0.428512 0.159948 0.840624 O\n0.571488 0.840052 0.159376 O\n0.048469 0.642548 0.555655 O\n0.062442 0.495999 0.140339 O\n0.093970 0.248075 0.781656 O\n0.451531 0.642548 0.055655 O\n0.312509 0.930834 0.432546 O\n0.593970 0.751925 0.718344 O\n0.548469 0.357452 0.944345 O\n0.906030 0.751925 0.218344 O\n0.772533 0.322441 0.225465 O\n0.937558 0.504001 0.859661 O\n0.277973 0.126150 0.573231 O\n0.951531 0.357452 0.444345 O\n0.777973 0.873850 0.926769 O\n0.272533 0.677559 0.274535 O\n0.928512 0.840052 0.659376 O\n0.222027 0.126150 0.073231 O\n0.687491 0.069166 0.567454 O\n0.227467 0.677559 0.774535 O\n0.437558 0.495999 0.640339 O\n0.812509 0.069166 0.067454 O\n0.187491 0.930834 0.932546 O\n0.722027 0.873850 0.426769 O\n0.406030 0.248075 0.281656 O\n",
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"O"
],
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"density": 2.960053683570292,
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"formula_full": "Ca8 Mg4 Si8 O28",
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},
{
"id": "mp-1196136",
"created_at": "2022-09-04T14:45:41.294545Z",
"structure_string": "Gd8 Ge4 B8 O32\n1.0\n4.459520 0.000000 0.000000\n0.000000 9.435401 0.000000\n0.000000 0.000000 13.633249\nGd Ge B O\n8 4 8 32\ndirect\n0.459076 0.526898 0.640162 Gd\n0.040924 0.026898 0.859838 Gd\n0.040924 0.473102 0.140162 Gd\n0.459076 0.973102 0.359838 Gd\n0.540924 0.473102 0.359838 Gd\n0.959076 0.973102 0.140162 Gd\n0.959076 0.526898 0.859838 Gd\n0.540924 0.026898 0.640162 Gd\n0.922784 0.750000 0.500000 Ge\n0.577216 0.250000 0.000000 Ge\n0.077216 0.250000 0.500000 Ge\n0.422784 0.750000 0.000000 Ge\n0.529554 0.702491 0.200444 B\n0.970446 0.202491 0.299556 B\n0.970446 0.297509 0.700444 B\n0.529554 0.797509 0.799556 B\n0.470446 0.297509 0.799556 B\n0.029554 0.797509 0.700444 B\n0.029554 0.702491 0.299556 B\n0.470446 0.202491 0.200444 B\n0.536073 0.549454 0.192352 O\n0.963927 0.049454 0.307648 O\n0.963927 0.450546 0.692352 O\n0.536073 0.950546 0.807648 O\n0.463927 0.450546 0.807648 O\n0.036073 0.950546 0.692352 O\n0.036073 0.549454 0.307648 O\n0.463927 0.049454 0.192352 O\n0.655228 0.767260 0.107206 O\n0.844772 0.267260 0.392794 O\n0.844772 0.232740 0.607206 O\n0.655228 0.732740 0.892794 O\n0.344772 0.232740 0.892794 O\n0.155228 0.732740 0.607206 O\n0.155228 0.767260 0.392794 O\n0.344772 0.267260 0.107206 O\n0.217655 0.757996 0.216316 O\n0.282345 0.257996 0.283684 O\n0.282345 0.242004 0.716316 O\n0.217655 0.742004 0.783684 O\n0.782345 0.242004 0.783684 O\n0.717655 0.742004 0.716316 O\n0.717655 0.757996 0.283684 O\n0.782345 0.257996 0.216316 O\n0.701715 0.597539 0.495126 O\n0.798285 0.097539 0.004874 O\n0.798285 0.402461 0.995126 O\n0.701715 0.902461 0.504874 O\n0.298285 0.402461 0.504874 O\n0.201715 0.902461 0.995126 O\n0.201715 0.597539 0.004874 O\n0.298285 0.097539 0.495126 O\n",
"nsites": 52,
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],
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"density": 6.214971229300747,
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"formula_full": "Gd8 Ge4 B8 O32",
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"updated_at": "2021-11-28T01:37:18.547000Z",
"spacegroup": 60
},
{
"id": "mp-21072",
"created_at": "2022-09-04T14:45:53.719975Z",
"structure_string": "Ba2 Nd2 Co4 O11\n1.0\n3.841923 0.000000 0.000000\n0.000000 7.918990 0.000000\n0.000000 0.000000 7.959669\nBa Nd Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.242777 Ba\n0.500000 0.000000 0.757223 Ba\n0.500000 0.500000 0.267228 Nd\n0.500000 0.500000 0.732772 Nd\n0.000000 0.750559 0.500000 Co\n0.000000 0.249441 0.500000 Co\n0.000000 0.740761 0.000000 Co\n0.000000 0.259239 0.000000 Co\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.683397 0.000000 O\n0.500000 0.316603 0.000000 O\n0.500000 0.732302 0.500000 O\n0.500000 0.267698 0.500000 O\n0.000000 0.708915 0.237109 O\n0.000000 0.708915 0.762891 O\n0.000000 0.291085 0.762891 O\n0.000000 0.291085 0.237109 O\n",
"nsites": 19,
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"elements": [
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"Co",
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],
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"density": 6.684666598783959,
"density_atomic": 0.07845852546389818,
"volume": 242.16616215585952,
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"formula_full": "Ba2 Nd2 Co4 O11",
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{
"id": "mp-29184",
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"structure_string": "Cr12 P6\n1.0\n-3.166838 3.275649 5.106224\n3.166838 -3.275649 5.106224\n3.166838 3.275649 -5.106224\nCr P\n12 6\ndirect\n0.795091 0.257840 0.052931 Cr\n0.204909 0.257840 0.462749 Cr\n0.833605 0.997552 0.580726 Cr\n0.166395 0.747121 0.163947 Cr\n0.416826 0.997552 0.163947 Cr\n0.583174 0.747121 0.580726 Cr\n0.712094 0.445146 0.733051 Cr\n0.287906 0.020957 0.733051 Cr\n0.214923 0.363991 0.149068 Cr\n0.785077 0.934145 0.149068 Cr\n0.500000 0.548815 0.048815 Cr\n0.000000 0.627034 0.627034 Cr\n0.392577 0.665767 0.728342 P\n0.607423 0.335765 0.273189 P\n0.937425 0.665767 0.273189 P\n0.062575 0.335765 0.728342 P\n0.500000 0.079923 0.579923 P\n0.000000 0.973601 0.973601 P\n",
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"volume": 211.87663185280962,
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"formula_full": "Cr12 P6",
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},
{
"id": "mp-1192980",
"created_at": "2022-09-04T14:45:39.326597Z",
"structure_string": "Tb10 In8 Pd4\n1.0\n8.103786 0.000000 0.000000\n0.000000 18.399045 0.000000\n0.000000 0.000000 3.673901\nTb In Pd\n10 8 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.744321 0.279250 0.000000 Tb\n0.255679 0.720750 0.000000 Tb\n0.755679 0.779250 0.000000 Tb\n0.244321 0.220750 0.000000 Tb\n0.614687 0.082037 0.000000 Tb\n0.385313 0.917963 0.000000 Tb\n0.885313 0.582037 0.000000 Tb\n0.114687 0.417963 0.000000 Tb\n0.712640 0.930020 0.500000 In\n0.287360 0.069980 0.500000 In\n0.787360 0.430020 0.500000 In\n0.212640 0.569980 0.500000 In\n0.576890 0.648510 0.500000 In\n0.423110 0.351490 0.500000 In\n0.923110 0.148510 0.500000 In\n0.076890 0.851490 0.500000 In\n0.527961 0.195642 0.500000 Pd\n0.472039 0.804358 0.500000 Pd\n0.972039 0.695642 0.500000 Pd\n0.027961 0.304358 0.500000 Pd\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "In-Pd-Tb",
"density": 8.89244451758892,
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"volume": 547.7857050563703,
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"formula_full": "Tb10 In8 Pd4",
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"spacegroup": 55
},
{
"id": "mp-1194813",
"created_at": "2022-09-04T14:45:41.288051Z",
"structure_string": "Rh8 Se36 Br24\n1.0\n-6.386602 6.386602 12.843429\n6.386602 -6.386602 12.843429\n6.386602 6.386602 -12.843429\nRh Se Br\n8 36 24\ndirect\n0.120625 0.589625 0.744226 Rh\n0.845399 0.376399 0.255774 Rh\n0.126399 0.370625 0.031000 Rh\n0.339625 0.095399 0.969000 Rh\n0.629375 0.660375 0.755774 Rh\n0.904601 0.873601 0.244226 Rh\n0.623601 0.879375 0.469000 Rh\n0.410375 0.154601 0.531000 Rh\n0.046347 0.404971 0.362134 Se\n0.042837 0.684213 0.637866 Se\n0.434213 0.296347 0.141376 Se\n0.154971 0.292837 0.858624 Se\n0.703653 0.845029 0.137866 Se\n0.707163 0.565787 0.862134 Se\n0.315787 0.953653 0.358624 Se\n0.595029 0.957163 0.641376 Se\n0.937469 0.496690 0.624598 Se\n0.872093 0.312871 0.375402 Se\n0.062871 0.187469 0.940779 Se\n0.246690 0.122093 0.059221 Se\n0.812531 0.753310 0.875402 Se\n0.877907 0.937129 0.124598 Se\n0.687129 0.062531 0.559221 Se\n0.503310 0.127907 0.440779 Se\n0.582252 0.827259 0.909170 Se\n0.918090 0.673082 0.090830 Se\n0.423082 0.832252 0.254993 Se\n0.577259 0.168090 0.745007 Se\n0.167748 0.422741 0.590830 Se\n0.831910 0.576918 0.409170 Se\n0.326918 0.417748 0.245007 Se\n0.172741 0.081910 0.754993 Se\n0.691155 0.995723 0.025887 Se\n0.969836 0.665267 0.974113 Se\n0.415267 0.941155 0.195431 Se\n0.745723 0.219836 0.804569 Se\n0.058845 0.254277 0.474113 Se\n0.780164 0.584733 0.525887 Se\n0.334733 0.308845 0.304569 Se\n0.004277 0.030164 0.695431 Se\n0.106108 0.606108 0.500000 Se\n0.356108 0.356108 0.000000 Se\n0.643892 0.643892 0.000000 Se\n0.393892 0.893892 0.500000 Se\n0.268035 0.879740 0.806027 Br\n0.073713 0.462008 0.193973 Br\n0.212008 0.518035 0.888295 Br\n0.629740 0.323713 0.111705 Br\n0.481965 0.370260 0.693973 Br\n0.676287 0.787992 0.306027 Br\n0.537992 0.731965 0.611705 Br\n0.120260 0.926287 0.388295 Br\n0.438646 0.042565 0.864979 Br\n0.177586 0.573667 0.135021 Br\n0.323667 0.688646 0.896081 Br\n0.792565 0.427586 0.103919 Br\n0.311354 0.207435 0.635021 Br\n0.572414 0.676333 0.364979 Br\n0.426333 0.561354 0.603919 Br\n0.957435 0.822414 0.396081 Br\n0.659798 0.481124 0.573603 Br\n0.907521 0.086195 0.426397 Br\n0.836195 0.909798 0.678674 Br\n0.231124 0.157521 0.321326 Br\n0.090202 0.768876 0.926397 Br\n0.842479 0.163805 0.073603 Br\n0.913805 0.340202 0.821326 Br\n0.518876 0.092479 0.178674 Br\n",
"nsites": 68,
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"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Rh-Se",
"density": 4.424609343136057,
"density_atomic": 0.032451010641134675,
"volume": 2095.466324669829,
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"formula_full": "Rh8 Se36 Br24",
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