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{
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"formula_full": "Li10 V6 P16 O58",
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{
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"structure_string": "Li2 Cr2 P6 H16 O26\n1.0\n-7.536085 0.000000 0.000000\n2.605763 8.273168 0.000000\n-0.095176 -2.209222 -9.424321\nLi Cr P H O\n2 2 6 16 26\ndirect\n0.288074 0.605650 0.691412 Li\n0.711926 0.394350 0.308588 Li\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.285104 0.276064 0.941491 P\n0.798154 0.642188 0.750571 P\n0.988014 0.000878 0.779710 P\n0.011986 0.999122 0.220290 P\n0.201846 0.357812 0.249429 P\n0.714896 0.723936 0.058509 P\n0.796754 0.184465 0.950665 H\n0.661233 0.294918 0.966618 H\n0.462708 0.089933 0.771900 H\n0.812680 0.316304 0.628350 H\n0.611748 0.994873 0.752844 H\n0.243450 0.135540 0.583355 H\n0.885394 0.172195 0.543152 H\n0.345659 0.245685 0.473122 H\n0.654341 0.754315 0.526878 H\n0.114606 0.827805 0.456848 H\n0.756550 0.864460 0.416645 H\n0.388252 0.005127 0.247156 H\n0.187320 0.683696 0.371650 H\n0.537292 0.910067 0.228100 H\n0.338767 0.705082 0.033382 H\n0.203246 0.815535 0.049335 H\n0.779298 0.289523 0.010246 O\n0.147637 0.086797 0.909293 O\n0.183093 0.384406 0.896240 O\n0.468034 0.277254 0.879909 O\n0.809185 0.029204 0.829669 O\n0.679044 0.681608 0.888659 O\n0.884935 0.508662 0.760314 O\n0.057278 0.046063 0.644581 O\n0.976306 0.809153 0.772339 O\n0.484935 0.987453 0.714098 O\n0.669530 0.621534 0.626185 O\n0.791552 0.229496 0.539315 O\n0.364891 0.179330 0.540194 O\n0.635109 0.820670 0.459806 O\n0.208448 0.770504 0.460685 O\n0.330470 0.378466 0.373815 O\n0.515065 0.012547 0.285902 O\n0.023694 0.190847 0.227661 O\n0.942722 0.953937 0.355419 O\n0.115065 0.491338 0.239686 O\n0.320956 0.318392 0.111341 O\n0.190815 0.970796 0.170331 O\n0.531966 0.722746 0.120091 O\n0.816907 0.615594 0.103760 O\n0.852363 0.913203 0.090707 O\n0.220702 0.710477 0.989754 O\n",
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"formula_full": "Li2 Cr2 P6 H16 O26",
"formula_reduced": "LiCrP3H8O13",
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{
"id": "mp-1206869",
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"structure_string": "Pu2 Si3 Pt3\n1.0\n4.937863 0.000000 0.000000\n0.000000 4.937863 0.000000\n0.000000 0.000000 19.808201\nPu Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.757360 Pu\n0.500000 0.500000 0.242640 Pu\n0.500000 0.500000 0.385638 Si\n0.500000 0.500000 0.614362 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.115243 Pt\n0.500000 0.500000 0.884757 Pt\n0.500000 0.500000 0.500000 Pt\n",
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"volume": 482.97328274277277,
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"formula_full": "Pu2 Si3 Pt3",
"formula_reduced": "Pu2(SiPt)3",
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},
{
"id": "mp-1186939",
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"structure_string": "Sc2 Co1 Pt1\n1.0\n0.000000 3.229993 3.229993\n3.229993 0.000000 3.229993\n3.229993 3.229993 0.000000\nSc Co Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Pt\n",
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"density": 8.473896970522167,
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"formula_full": "Sc2 Co1 Pt1",
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{
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"structure_string": "Er2 Co8 B2\n1.0\n4.967189 0.000000 0.000000\n-2.483595 4.301712 0.000000\n0.000000 0.000000 6.843843\nEr Co B\n2 8 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.711871 Co\n0.500000 0.000000 0.711871 Co\n0.000000 0.500000 0.711871 Co\n0.500000 0.500000 0.288129 Co\n0.500000 0.000000 0.288129 Co\n0.000000 0.500000 0.288129 Co\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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],
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{
"id": "mp-1076769",
"created_at": "2022-09-04T14:46:35.546534Z",
"structure_string": "Sr24 Ca8 Fe20 Co12 O80\n1.0\n-0.015309 -0.008565 10.883912\n11.345713 0.009379 -0.015769\n-5.652265 15.784217 -5.445594\nSr Ca Fe Co O\n24 8 20 12 80\ndirect\n0.308896 0.061916 0.608802 Sr\n0.310847 0.564071 0.610395 Sr\n0.805064 0.062258 0.610131 Sr\n0.805788 0.567193 0.611694 Sr\n0.200254 0.434394 0.388401 Sr\n0.196738 0.437273 0.892541 Sr\n0.198501 0.934998 0.388062 Sr\n0.692784 0.437158 0.387692 Sr\n0.700312 0.439482 0.893175 Sr\n0.694925 0.933927 0.389858 Sr\n0.699670 0.936731 0.893918 Sr\n0.052026 0.292745 0.108757 Sr\n0.055441 0.294826 0.610551 Sr\n0.055941 0.799123 0.611196 Sr\n0.557137 0.294951 0.609076 Sr\n0.557144 0.796680 0.109203 Sr\n0.561292 0.797258 0.609579 Sr\n0.445722 0.202029 0.386236 Sr\n0.450590 0.204903 0.892392 Sr\n0.450189 0.703171 0.388075 Sr\n0.450072 0.707199 0.893783 Sr\n0.942969 0.200374 0.386611 Sr\n0.945515 0.205960 0.893297 Sr\n0.944443 0.702515 0.387080 Sr\n0.301855 0.063207 0.103990 Ca\n0.299373 0.567844 0.105374 Ca\n0.802238 0.065817 0.103823 Ca\n0.806887 0.570390 0.104889 Ca\n0.199242 0.932373 0.897133 Ca\n0.054007 0.787699 0.104105 Ca\n0.557224 0.284695 0.105991 Ca\n0.951638 0.713459 0.897743 Ca\n0.003372 0.998421 0.499110 Fe\n0.003442 0.500546 0.499907 Fe\n0.257667 0.250578 0.004239 Fe\n0.255216 0.248333 0.499685 Fe\n0.104681 0.085440 0.245240 Fe\n0.110350 0.090519 0.754230 Fe\n0.105806 0.591767 0.246732 Fe\n0.107248 0.596224 0.752068 Fe\n0.605043 0.091484 0.247169 Fe\n0.607801 0.090006 0.749227 Fe\n0.603091 0.584783 0.243503 Fe\n0.612042 0.592587 0.752535 Fe\n0.355939 0.407294 0.244031 Fe\n0.358353 0.409522 0.750784 Fe\n0.353103 0.907299 0.246642 Fe\n0.356732 0.908925 0.752188 Fe\n0.852962 0.407796 0.246285 Fe\n0.859649 0.413387 0.752396 Fe\n0.858038 0.908621 0.246736 Fe\n0.862816 0.907490 0.753201 Fe\n0.007588 0.999526 0.003393 Co\n0.006656 0.503804 0.003367 Co\n0.506821 0.001811 0.002874 Co\n0.503837 0.999738 0.498870 Co\n0.510646 0.503663 0.008758 Co\n0.506505 0.501249 0.500756 Co\n0.256132 0.752573 0.003251 Co\n0.255540 0.752693 0.500069 Co\n0.756793 0.253489 0.005182 Co\n0.752748 0.247689 0.499298 Co\n0.759676 0.753072 0.003665 Co\n0.753973 0.750065 0.499551 Co\n0.123976 0.121998 0.491534 O\n0.127400 0.116735 0.990043 O\n0.132638 0.626887 0.491763 O\n0.125306 0.625118 0.991700 O\n0.625695 0.128249 0.492443 O\n0.624938 0.126452 0.995688 O\n0.625370 0.621603 0.490201 O\n0.629352 0.623153 0.993582 O\n0.136867 0.381760 0.013334 O\n0.129636 0.377845 0.506939 O\n0.135317 0.880077 0.012727 O\n0.131464 0.879963 0.508197 O\n0.630754 0.386832 0.014062 O\n0.624281 0.386261 0.507348 O\n0.638754 0.885026 0.014247 O\n0.629722 0.882534 0.508208 O\n0.376109 0.116391 0.490908 O\n0.375241 0.117539 0.992512 O\n0.382856 0.611812 0.491720 O\n0.381186 0.612250 0.995342 O\n0.874490 0.116614 0.491324 O\n0.875687 0.116431 0.993342 O\n0.877054 0.618299 0.491784 O\n0.880270 0.624275 0.992140 O\n0.388414 0.382018 0.017390 O\n0.380795 0.378156 0.507080 O\n0.381501 0.885395 0.011517 O\n0.380425 0.873621 0.505773 O\n0.881905 0.388967 0.014024 O\n0.874159 0.374733 0.506897 O\n0.890480 0.881861 0.015516 O\n0.881872 0.879431 0.506621 O\n0.094527 0.099298 0.141774 O\n0.083960 0.091912 0.642405 O\n0.090587 0.607042 0.142175 O\n0.077504 0.590985 0.637545 O\n0.589470 0.105729 0.142851 O\n0.575358 0.087529 0.635033 O\n0.592041 0.599317 0.139001 O\n0.583634 0.597605 0.642161 O\n0.439369 0.403599 0.354096 O\n0.441052 0.401425 0.857906 O\n0.438209 0.914826 0.361985 O\n0.445666 0.902600 0.858827 O\n0.939459 0.411349 0.360267 O\n0.942427 0.400225 0.858235 O\n0.942245 0.908619 0.358738 O\n0.947181 0.893939 0.859302 O\n0.334732 0.283156 0.138240 O\n0.330210 0.295748 0.638611 O\n0.337943 0.783693 0.143955 O\n0.330852 0.796749 0.640283 O\n0.834511 0.283987 0.143272 O\n0.831499 0.298298 0.641052 O\n0.839604 0.785850 0.142791 O\n0.834373 0.796235 0.642703 O\n0.188749 0.197597 0.358492 O\n0.194199 0.207907 0.862694 O\n0.189732 0.702239 0.358745 O\n0.194666 0.713097 0.858252 O\n0.685613 0.204056 0.359368 O\n0.689459 0.206102 0.856667 O\n0.686338 0.699029 0.353105 O\n0.699514 0.705212 0.860814 O\n0.423605 0.058885 0.240027 O\n0.431684 0.062293 0.750065 O\n0.422922 0.561959 0.239765 O\n0.434894 0.564135 0.751911 O\n0.924080 0.062489 0.240353 O\n0.933076 0.063667 0.752226 O\n0.924272 0.559857 0.240187 O\n0.933298 0.573172 0.758589 O\n0.181179 0.437723 0.247408 O\n0.181881 0.441252 0.750969 O\n0.172973 0.926954 0.241632 O\n0.182055 0.936222 0.758811 O\n0.672339 0.427046 0.241228 O\n0.681649 0.436074 0.750034 O\n0.682830 0.939199 0.249384 O\n0.685673 0.938819 0.751662 O\n",
"nsites": 144,
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"elements": [
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"formula_full": "Sr24 Ca8 Fe20 Co12 O80",
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{
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{
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{
"id": "mp-1174685",
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"structure_string": "Li10 Mn6 O16\n1.0\n-5.734522 -0.383308 -0.059176\n-2.956532 -0.241951 8.570908\n-0.385388 5.812310 0.022442\nLi Mn O\n10 6 16\ndirect\n0.124910 0.250007 0.250070 Li\n0.625068 0.249991 0.249871 Li\n0.874952 0.749992 0.750003 Li\n0.374995 0.749973 0.750115 Li\n0.124888 0.249956 0.750065 Li\n0.625087 0.250046 0.749899 Li\n0.483339 0.040610 0.506477 Li\n0.983626 0.040322 0.506665 Li\n0.766228 0.459691 0.993321 Li\n0.266549 0.459380 0.993498 Li\n0.875060 0.750027 0.250019 Mn\n0.375028 0.750004 0.250050 Mn\n0.489488 0.017488 0.998644 Mn\n0.989079 0.017566 0.998640 Mn\n0.760970 0.482407 0.501308 Mn\n0.260503 0.482541 0.501374 Mn\n0.744528 0.007488 0.230361 O\n0.244850 0.006768 0.230388 O\n0.005492 0.492538 0.269627 O\n0.505158 0.493244 0.269616 O\n0.884517 0.228087 0.997725 O\n0.384292 0.227969 0.997764 O\n0.365694 0.272045 0.502159 O\n0.865496 0.271890 0.502219 O\n0.636903 0.727979 0.478737 O\n0.137240 0.728119 0.478870 O\n0.113240 0.772023 0.021241 O\n0.612765 0.771900 0.021283 O\n0.001873 0.500196 0.724756 O\n0.501839 0.500240 0.724550 O\n0.748152 0.999775 0.775243 O\n0.248193 0.999740 0.775440 O\n",
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{
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