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{
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{
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{
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{
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"structure_string": "Ce17 O32\n1.0\n21.747143 -0.062794 62.622706\n12.369433 3.140048 39.042724\n0.017098 -0.007780 10.308415\nCe O\n17 32\ndirect\n0.989118 0.021212 0.986817 Ce\n0.062285 0.979890 0.060902 Ce\n0.107374 0.015401 0.998472 Ce\n0.190479 0.978143 0.982223 Ce\n0.245714 0.987553 0.992585 Ce\n0.283698 0.012447 0.007415 Ce\n0.338933 0.021857 0.017777 Ce\n0.422038 0.984599 0.001528 Ce\n0.467127 0.020110 0.939098 Ce\n0.540294 0.978788 0.013183 Ce\n0.565603 0.044874 0.965077 Ce\n0.642510 0.009842 0.992644 Ce\n0.707949 0.997185 0.997129 Ce\n0.764706 0.000000 0.000000 Ce\n0.821462 0.002815 0.002871 Ce\n0.886902 0.990158 0.007356 Ce\n0.963808 0.955126 0.034923 Ce\n0.069865 0.257723 0.242414 O\n0.166638 0.206362 0.198905 O\n0.194867 0.245996 0.249362 O\n0.284471 0.191454 0.278936 O\n0.329054 0.200319 0.299707 O\n0.372656 0.243346 0.245116 O\n0.033677 0.771990 0.722360 O\n0.411663 0.285028 0.210959 O\n0.117749 0.714972 0.789041 O\n0.495735 0.228010 0.277640 O\n0.156756 0.756654 0.754884 O\n0.527871 0.278317 0.231690 O\n0.200358 0.799681 0.700293 O\n0.607743 0.239930 0.250434 O\n0.667815 0.238894 0.258888 O\n0.244941 0.808546 0.721064 O\n0.334544 0.754004 0.750638 O\n0.705885 0.285184 0.221955 O\n0.362774 0.793638 0.801095 O\n0.742877 0.310997 0.225268 O\n0.839459 0.245165 0.265786 O\n0.459546 0.742277 0.757586 O\n0.861592 0.291719 0.311105 O\n0.955075 0.250755 0.245917 O\n0.574336 0.749245 0.754083 O\n0.667820 0.708281 0.688895 O\n0.689952 0.754835 0.734214 O\n0.786535 0.689003 0.774732 O\n0.823527 0.714816 0.778045 O\n0.861597 0.761106 0.741112 O\n0.921669 0.760070 0.749566 O\n0.001541 0.721683 0.768310 O\n",
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{
"id": "mp-1036104",
"created_at": "2022-09-04T14:43:06.260761Z",
"structure_string": "Mg14 Mn1 Cr1 O16\n1.0\n4.284151 0.000000 0.000000\n0.000000 8.524366 0.000000\n0.000000 0.000000 8.656396\nMg Mn Cr O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.748667 0.000000 Mg\n0.500000 0.251333 0.000000 Mg\n0.500000 0.749580 0.500000 Mg\n0.500000 0.250420 0.500000 Mg\n0.500000 0.000000 0.747516 Mg\n0.500000 0.500000 0.747057 Mg\n0.500000 0.000000 0.252484 Mg\n0.500000 0.500000 0.252943 Mg\n0.000000 0.748330 0.746835 Mg\n0.000000 0.251670 0.746835 Mg\n0.000000 0.748330 0.253165 Mg\n0.000000 0.251670 0.253165 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.743611 O\n0.000000 0.500000 0.735735 O\n0.000000 0.000000 0.256389 O\n0.000000 0.500000 0.264265 O\n0.500000 0.750173 0.751369 O\n0.500000 0.249827 0.751369 O\n0.500000 0.750173 0.248631 O\n0.500000 0.249827 0.248631 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.743931 0.000000 O\n0.000000 0.256069 0.000000 O\n0.000000 0.751693 0.500000 O\n0.000000 0.248307 0.500000 O\n",
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"formula_full": "Mg14 Mn1 Cr1 O16",
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{
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"structure_string": "Na4 W1 O4\n1.0\n-3.641040 3.641040 2.451809\n3.641040 -3.641040 2.451809\n3.641040 3.641040 -2.451809\nNa W O\n4 1 4\ndirect\n0.802366 0.406952 0.209318 Na\n0.406952 0.197634 0.604586 Na\n0.593048 0.802366 0.395414 Na\n0.197634 0.593048 0.790682 Na\n0.000000 0.000000 0.000000 W\n0.252340 0.918864 0.171204 O\n0.918864 0.747660 0.666524 O\n0.081136 0.252340 0.333476 O\n0.747660 0.081136 0.828796 O\n",
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{
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{
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"structure_string": "Nd6 Ga2 Ni2 S14\n1.0\n4.934699 -8.547150 0.000000\n4.934699 8.547150 0.000000\n0.000000 0.000000 6.201633\nNd Ga Ni S\n6 2 2 14\ndirect\n0.847348 0.626050 0.680182 Nd\n0.778702 0.152652 0.680182 Nd\n0.373950 0.221298 0.680182 Nd\n0.152652 0.373950 0.180182 Nd\n0.221298 0.847348 0.180182 Nd\n0.626050 0.778702 0.180182 Nd\n0.333333 0.666667 0.605516 Ga\n0.666667 0.333333 0.105516 Ga\n0.000000 0.000000 0.992664 Ni\n0.000000 0.000000 0.492664 Ni\n0.569298 0.479562 0.955823 S\n0.910264 0.430702 0.955823 S\n0.520438 0.089736 0.955823 S\n0.430702 0.520438 0.455823 S\n0.089736 0.569298 0.455823 S\n0.479562 0.910264 0.455823 S\n0.333333 0.666667 0.970110 S\n0.666667 0.333333 0.470110 S\n0.132053 0.906113 0.755436 S\n0.774060 0.867947 0.755436 S\n0.093887 0.225940 0.755436 S\n0.867947 0.093887 0.255436 S\n0.225940 0.132053 0.255436 S\n0.906113 0.774060 0.255436 S\n",
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{
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"structure_string": "Li2 Mn2 P8 H8 O28\n1.0\n2.461446 6.815665 0.064057\n-4.037151 0.618939 7.757109\n6.414361 1.095691 8.028813\nLi Mn P H O\n2 2 8 8 28\ndirect\n0.000038 0.999966 0.000113 Li\n0.999859 0.500307 0.499793 Li\n0.499771 0.499921 0.500017 Mn\n0.499808 0.999897 0.999902 Mn\n0.219655 0.985764 0.315411 P\n0.219566 0.485691 0.815602 P\n0.780509 0.014258 0.684427 P\n0.780467 0.514266 0.184552 P\n0.625688 0.917249 0.310375 P\n0.625664 0.417383 0.810401 P\n0.374304 0.082634 0.689648 P\n0.374380 0.582748 0.189519 P\n0.787626 0.166320 0.276091 H\n0.787684 0.666473 0.775991 H\n0.212361 0.833478 0.724050 H\n0.212431 0.333616 0.223908 H\n0.970657 0.835213 0.534916 H\n0.970614 0.335082 0.035050 H\n0.029479 0.164922 0.464975 H\n0.029522 0.664836 0.965134 H\n0.254364 0.979490 0.163841 O\n0.254489 0.479425 0.664044 O\n0.745678 0.020512 0.836001 O\n0.745522 0.520499 0.336186 O\n0.159443 0.142357 0.325851 O\n0.159355 0.642319 0.826014 O\n0.840614 0.857647 0.673929 O\n0.840563 0.357651 0.174149 O\n0.696634 0.935329 0.148270 O\n0.696373 0.435535 0.648303 O\n0.303462 0.064598 0.851752 O\n0.303481 0.564668 0.351619 O\n0.412510 0.261099 0.558027 O\n0.412851 0.761190 0.057801 O\n0.586603 0.738674 0.442296 O\n0.587466 0.238860 0.941977 O\n0.423929 0.983537 0.344139 O\n0.423675 0.483277 0.844520 O\n0.576289 0.016702 0.655635 O\n0.576318 0.516736 0.155616 O\n0.770715 0.035663 0.332914 O\n0.770765 0.535792 0.832830 O\n0.229246 0.964164 0.667214 O\n0.229290 0.464276 0.167097 O\n0.062128 0.814171 0.448193 O\n0.062058 0.314100 0.948288 O\n0.937977 0.185875 0.551724 O\n0.938121 0.685831 0.051891 O\n",
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}