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{
"id": "mp-637251",
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"structure_string": "Cs4 Si2 Se8\n1.0\n3.915612 7.748364 0.000000\n-3.915612 7.748364 0.000000\n0.000000 5.463038 8.800314\nCs Si Se\n4 2 8\ndirect\n0.408058 0.408058 0.856782 Cs\n0.841239 0.841239 0.284286 Cs\n0.591942 0.591942 0.143218 Cs\n0.158761 0.158761 0.715714 Cs\n0.154363 0.154363 0.300131 Si\n0.845637 0.845637 0.699869 Si\n0.690887 0.690887 0.729905 Se\n0.849904 0.327668 0.460447 Se\n0.309113 0.309113 0.270095 Se\n0.672332 0.150096 0.539553 Se\n0.125520 0.125520 0.111680 Se\n0.874480 0.874480 0.888320 Se\n0.150096 0.672332 0.539553 Se\n0.327668 0.849904 0.460447 Se\n",
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{
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"structure_string": "Sc6 Ga16 Os7\n1.0\n0.000000 6.232888 6.232888\n6.232888 0.000000 6.232888\n6.232888 6.232888 0.000000\nSc Ga Os\n6 16 7\ndirect\n0.716607 0.716607 0.283393 Sc\n0.283393 0.716607 0.283393 Sc\n0.716607 0.283393 0.283393 Sc\n0.283393 0.283393 0.716607 Sc\n0.716607 0.283393 0.716607 Sc\n0.283393 0.716607 0.716607 Sc\n0.878143 0.878143 0.365571 Ga\n0.878143 0.365571 0.878143 Ga\n0.365571 0.878143 0.878143 Ga\n0.878143 0.878143 0.878143 Ga\n0.121857 0.121857 0.634429 Ga\n0.121857 0.634429 0.121857 Ga\n0.634429 0.121857 0.121857 Ga\n0.121857 0.121857 0.121857 Ga\n0.657417 0.657417 0.027750 Ga\n0.657417 0.027750 0.657417 Ga\n0.027750 0.657417 0.657417 Ga\n0.657417 0.657417 0.657417 Ga\n0.342583 0.342583 0.972250 Ga\n0.342583 0.972250 0.342583 Ga\n0.972250 0.342583 0.342583 Ga\n0.342583 0.342583 0.342583 Ga\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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"formula_full": "Sc6 Ga16 Os7",
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{
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"created_at": "2022-09-04T14:46:53.783323Z",
"structure_string": "K1 Mg14 Fe1 O16\n1.0\n8.631700 0.000000 0.000000\n0.000000 8.590973 0.000000\n0.000000 0.000000 4.392838\nK Mg Fe O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.254027 0.500000 Mg\n0.000000 0.745973 0.500000 Mg\n0.500000 0.251550 0.500000 Mg\n0.500000 0.748450 0.500000 Mg\n0.252721 0.000000 0.500000 Mg\n0.252206 0.500000 0.500000 Mg\n0.747279 0.000000 0.500000 Mg\n0.747794 0.500000 0.500000 Mg\n0.255755 0.252531 0.000000 Mg\n0.255755 0.747469 0.000000 Mg\n0.744245 0.252531 0.000000 Mg\n0.744245 0.747469 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.248147 0.000000 0.000000 O\n0.274956 0.500000 0.000000 O\n0.751853 0.000000 0.000000 O\n0.725044 0.500000 0.000000 O\n0.249436 0.247919 0.500000 O\n0.249436 0.752081 0.500000 O\n0.750564 0.247919 0.500000 O\n0.750564 0.752081 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.221672 0.000000 O\n0.000000 0.778328 0.000000 O\n0.500000 0.242353 0.000000 O\n0.500000 0.757647 0.000000 O\n",
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"spacegroup": 47
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{
"id": "mp-684802",
"created_at": "2022-09-04T14:46:53.788224Z",
"structure_string": "Sr8 La3 Ru3 O21\n1.0\n5.772183 0.000000 0.000000\n-2.874075 6.334912 0.000000\n-0.046423 -2.488739 14.653629\nSr La Ru O\n8 3 3 21\ndirect\n0.796542 0.543732 0.067350 Sr\n0.493979 0.988411 0.127997 Sr\n0.181923 0.357961 0.208180 Sr\n0.127150 0.200341 0.728837 Sr\n0.841946 0.681481 0.545051 Sr\n0.823633 0.646697 0.787093 Sr\n0.565523 0.102931 0.582083 Sr\n0.248339 0.469679 0.947737 Sr\n0.183950 0.357153 0.455036 La\n0.910243 0.826668 0.317134 La\n0.509459 0.006200 0.873221 La\n0.995553 0.996441 0.997581 Ru\n0.656263 0.318950 0.329473 Ru\n0.326641 0.654928 0.662076 Ru\n0.685961 0.403377 0.208583 O\n0.843985 0.201704 0.018301 O\n0.347230 0.208995 0.026016 O\n0.243286 0.616635 0.113769 O\n0.351459 0.709813 0.536812 O\n0.530077 0.547674 0.361815 O\n0.009195 0.543024 0.361862 O\n0.308389 0.111140 0.297320 O\n0.790605 0.109834 0.291612 O\n0.967623 0.947301 0.122479 O\n0.980156 0.995798 0.466302 O\n0.007801 0.057484 0.869990 O\n0.193662 0.874391 0.687147 O\n0.678479 0.879215 0.691587 O\n0.981145 0.425032 0.628454 O\n0.450980 0.429829 0.626205 O\n0.639167 0.291500 0.454669 O\n0.575618 0.297351 0.821350 O\n0.653705 0.771370 0.963856 O\n0.120625 0.779884 0.955839 O\n0.294883 0.607422 0.790892 O\n",
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"formula_full": "Sr8 La3 Ru3 O21",
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{
"id": "mp-1059256",
"created_at": "2022-09-04T14:46:53.793476Z",
"structure_string": "Pr2\n1.0\n1.882795 -3.261097 0.000000\n1.882795 3.261097 0.000000\n0.000000 0.000000 5.948144\nPr\n2\ndirect\n0.666667 0.333333 0.250000 Pr\n0.333333 0.666667 0.750000 Pr\n",
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{
"id": "mp-1173753",
"created_at": "2022-09-04T14:46:54.304109Z",
"structure_string": "Na4 Ga4 Se6\n1.0\n6.115031 3.457259 0.000000\n-6.115031 3.457259 0.000000\n0.000000 2.357362 8.385212\nNa Ga Se\n4 4 6\ndirect\n0.666637 0.333363 0.000000 Na\n0.333363 0.666637 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.881768 0.214876 0.354144 Ga\n0.785124 0.118232 0.645856 Ga\n0.214876 0.881768 0.354144 Ga\n0.118232 0.785124 0.645856 Ga\n0.414345 0.072022 0.761892 Se\n0.072022 0.414345 0.761892 Se\n0.927978 0.585655 0.238108 Se\n0.753515 0.753515 0.761462 Se\n0.585655 0.927978 0.238108 Se\n0.246485 0.246485 0.238538 Se\n",
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{
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"structure_string": "As16 H24 C12 O12\n1.0\n7.842186 0.000000 0.000000\n-0.196433 12.047977 0.000000\n-0.116455 -5.825772 10.719203\nAs H C O\n16 24 12 12\ndirect\n0.859073 0.369379 0.219226 As\n0.140927 0.630621 0.780774 As\n0.171811 0.363908 0.402462 As\n0.828189 0.636092 0.597538 As\n0.169275 0.142917 0.106480 As\n0.830725 0.857083 0.893520 As\n0.870545 0.119580 0.286514 As\n0.129455 0.880420 0.713486 As\n0.571582 0.805410 0.153067 As\n0.428418 0.194590 0.846933 As\n0.262000 0.597493 0.112284 As\n0.738000 0.402507 0.887716 As\n0.223916 0.884006 0.345886 As\n0.776084 0.115994 0.654114 As\n0.519562 0.706801 0.375840 As\n0.480438 0.293199 0.624160 As\n0.927745 0.194536 0.000963 H\n0.072255 0.805464 0.999037 H\n0.087392 0.316239 0.055647 H\n0.912608 0.683761 0.944353 H\n0.940049 0.298904 0.505169 H\n0.059951 0.701096 0.494831 H\n0.104828 0.186185 0.452205 H\n0.895172 0.813815 0.547795 H\n0.660868 0.182123 0.168474 H\n0.339132 0.817877 0.831526 H\n0.656086 0.291341 0.329697 H\n0.343914 0.708659 0.670303 H\n0.331697 0.961057 0.198699 H\n0.668303 0.038943 0.801301 H\n0.471742 0.012836 0.331173 H\n0.528258 0.987164 0.668827 H\n0.477929 0.490877 0.183724 H\n0.522071 0.509123 0.816276 H\n0.293830 0.532069 0.279593 H\n0.706170 0.467931 0.720407 H\n0.761566 0.688504 0.231405 H\n0.238434 0.311496 0.768595 H\n0.738137 0.847813 0.348155 H\n0.261863 0.152187 0.651845 H\n0.009048 0.256286 0.081899 C\n0.990952 0.743714 0.918101 C\n0.021014 0.242073 0.425560 C\n0.978986 0.757927 0.574440 C\n0.741678 0.240225 0.251239 C\n0.258322 0.759775 0.748761 C\n0.401011 0.930708 0.258384 C\n0.598989 0.069292 0.741616 C\n0.389034 0.566967 0.236867 C\n0.610966 0.433033 0.763133 C\n0.667918 0.762711 0.279398 C\n0.332082 0.237289 0.720602 C\n0.014481 0.440399 0.350660 O\n0.985519 0.559601 0.649340 O\n0.271260 0.255816 0.255076 O\n0.728740 0.744184 0.744924 O\n0.020457 0.057509 0.155670 O\n0.979543 0.942491 0.844330 O\n0.430545 0.665907 0.060225 O\n0.569455 0.334093 0.939775 O\n0.140399 0.735611 0.217878 O\n0.859601 0.264389 0.782122 O\n0.359121 0.831999 0.434202 O\n0.640879 0.168001 0.565798 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Li12 Mn4 Si4 O20\n1.0\n5.007508 0.000000 0.000000\n0.000000 5.486887 0.000000\n0.000000 0.000000 15.883598\nLi Mn Si O\n12 4 4 20\ndirect\n0.994257 0.163847 0.590546 Li\n0.994257 0.663847 0.909454 Li\n0.499226 0.835817 0.993543 Li\n0.499226 0.335817 0.506457 Li\n0.508572 0.826895 0.802686 Li\n0.508572 0.326895 0.697314 Li\n0.494257 0.836153 0.409454 Li\n0.494257 0.336153 0.090546 Li\n0.999226 0.164183 0.006457 Li\n0.999226 0.664183 0.493543 Li\n0.008572 0.673105 0.302686 Li\n0.008572 0.173105 0.197314 Li\n0.007546 0.671643 0.697282 Mn\n0.007546 0.171643 0.802718 Mn\n0.507546 0.828357 0.197282 Mn\n0.507546 0.328357 0.302718 Mn\n0.005893 0.663247 0.097965 Si\n0.005893 0.163247 0.402035 Si\n0.505893 0.836753 0.597965 Si\n0.505893 0.336753 0.902035 Si\n0.098544 0.840701 0.795792 O\n0.098544 0.340701 0.704208 O\n0.103353 0.880064 0.397792 O\n0.103353 0.380064 0.102208 O\n0.103945 0.813521 0.015207 O\n0.103945 0.313521 0.484793 O\n0.105141 0.810238 0.185702 O\n0.105141 0.310238 0.314298 O\n0.168805 0.829636 0.601508 O\n0.168805 0.329636 0.898492 O\n0.598544 0.159299 0.204208 O\n0.598544 0.659299 0.295792 O\n0.603353 0.119936 0.602208 O\n0.603353 0.619936 0.897792 O\n0.603945 0.686479 0.515207 O\n0.603945 0.186479 0.984793 O\n0.605141 0.689762 0.685702 O\n0.605141 0.189762 0.814298 O\n0.668805 0.670364 0.101508 O\n0.668805 0.170364 0.398492 O\n",
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}