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{
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{
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{
"id": "mp-1031104",
"created_at": "2022-09-04T14:42:00.529872Z",
"structure_string": "Ce1 Mg6 B1 O8\n1.0\n9.287490 0.000000 -0.000000\n-0.000000 4.387828 0.000000\n-0.000000 -0.000000 4.387828\nCe Mg B O\n1 6 1 8\ndirect\n-0.000000 0.000000 -0.000000 Ce\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.272939 -0.000000 0.500000 Mg\n0.727061 0.000000 0.500000 Mg\n0.272939 0.500000 0.000000 Mg\n0.727061 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.500000 B\n0.267382 0.000000 -0.000000 O\n0.732618 -0.000000 0.000000 O\n0.281446 0.500000 0.500000 O\n0.718554 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Li10 Mo4 P10 O36\n1.0\n9.336877 0.000000 0.000000\n-1.168673 10.849892 0.000000\n-0.117046 -0.284324 6.619129\nLi Mo P O\n10 4 10 36\ndirect\n0.860040 0.347542 0.377836 Li\n0.590954 0.555001 0.277147 Li\n0.662007 0.126363 0.220730 Li\n0.359965 0.821505 0.124030 Li\n0.640035 0.178495 0.875970 Li\n0.133878 0.012158 0.943365 Li\n0.409046 0.444999 0.722853 Li\n0.866122 0.987842 0.056635 Li\n0.337993 0.873637 0.779270 Li\n0.139960 0.652458 0.622164 Li\n0.399964 0.229700 0.356793 Mo\n0.053097 0.667057 0.231618 Mo\n0.600036 0.770300 0.643207 Mo\n0.946903 0.332943 0.768382 Mo\n0.597154 0.778096 0.992002 P\n0.653569 0.278823 0.582176 P\n0.900760 0.830744 0.729729 P\n0.793799 0.487826 0.054600 P\n0.402846 0.221904 0.007998 P\n0.346431 0.721177 0.417824 P\n0.206201 0.512174 0.945400 P\n0.826318 0.836039 0.419233 P\n0.173682 0.163961 0.580767 P\n0.099240 0.169256 0.270271 P\n0.951618 0.009871 0.831245 O\n0.172123 0.677079 0.052761 O\n0.205579 0.667331 0.410094 O\n0.399522 0.763147 0.577526 O\n0.774534 0.752492 0.757961 O\n0.419971 0.550779 0.355083 O\n0.368781 0.908984 0.326205 O\n0.515378 0.781172 0.845116 O\n0.526124 0.736524 0.119299 O\n0.580029 0.449221 0.644917 O\n0.631219 0.091016 0.673795 O\n0.181753 0.988574 0.682635 O\n0.484622 0.218828 0.154884 O\n0.893361 0.661681 0.076610 O\n0.698916 0.741736 0.446886 O\n0.915748 0.671512 0.383540 O\n0.011367 0.345479 0.264390 O\n0.892045 0.930887 0.573478 O\n0.324044 0.419035 0.031358 O\n0.683304 0.967206 0.016054 O\n0.301084 0.258264 0.553114 O\n0.675956 0.580965 0.968642 O\n0.794421 0.332669 0.589906 O\n0.084252 0.328488 0.616460 O\n0.600478 0.236853 0.422474 O\n0.048382 0.990129 0.168755 O\n0.250227 0.598173 0.808419 O\n0.225466 0.247508 0.242039 O\n0.818247 0.011426 0.317365 O\n0.316696 0.032794 0.983946 O\n0.988633 0.654521 0.735610 O\n0.473876 0.263476 0.880701 O\n0.107955 0.069113 0.426522 O\n0.827877 0.322921 0.947239 O\n0.106639 0.338319 0.923390 O\n0.749773 0.401827 0.191581 O\n",
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"formula_full": "Li10 Mo4 P10 O36",
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{
"id": "mp-1207462",
"created_at": "2022-09-04T14:41:46.502647Z",
"structure_string": "Zr12 Co2 Sn4 H20\n1.0\n4.080844 -7.068230 0.000000\n4.080844 7.068230 0.000000\n0.000000 0.000000 7.361522\nZr Co Sn H\n12 2 4 20\ndirect\n0.744672 0.000000 0.000000 Zr\n0.000000 0.744672 0.000000 Zr\n0.744672 0.000000 0.500000 Zr\n0.255328 0.255328 0.000000 Zr\n0.000000 0.744672 0.500000 Zr\n0.255328 0.255328 0.500000 Zr\n0.418227 0.046560 0.250000 Zr\n0.953440 0.371668 0.250000 Zr\n0.046560 0.418227 0.750000 Zr\n0.628332 0.581773 0.250000 Zr\n0.371668 0.953440 0.750000 Zr\n0.581773 0.628332 0.750000 Zr\n0.000000 0.000000 0.250000 Co\n0.000000 0.000000 0.750000 Co\n0.333333 0.666667 0.041285 Sn\n0.333333 0.666667 0.458715 Sn\n0.666667 0.333333 0.958715 Sn\n0.666667 0.333333 0.541285 Sn\n0.277540 0.000000 0.000000 H\n0.000000 0.277540 0.000000 H\n0.277540 0.000000 0.500000 H\n0.722460 0.722460 0.000000 H\n0.000000 0.277540 0.500000 H\n0.722460 0.722460 0.500000 H\n0.401682 0.293329 0.250000 H\n0.706671 0.108353 0.250000 H\n0.293329 0.401682 0.750000 H\n0.891647 0.598318 0.250000 H\n0.108353 0.706671 0.750000 H\n0.598318 0.891647 0.750000 H\n0.116920 0.234627 0.250000 H\n0.765373 0.882294 0.250000 H\n0.234627 0.116920 0.750000 H\n0.117706 0.883080 0.250000 H\n0.882294 0.765373 0.750000 H\n0.883080 0.117706 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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{
"id": "mp-767053",
"created_at": "2022-09-04T14:46:23.529870Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-2.085413 0.021877 4.745178\n-4.514631 0.175274 -4.789526\n-0.555806 -15.637219 -0.113891\nLi Co C O\n8 4 8 24\ndirect\n0.197059 0.841593 0.278615 Li\n0.196848 0.841443 0.778619 Li\n0.354939 0.745753 0.039513 Li\n0.355112 0.745766 0.539536 Li\n0.862098 0.262748 0.209023 Li\n0.862224 0.262802 0.709036 Li\n0.650836 0.248526 0.459486 Li\n0.650829 0.248677 0.959514 Li\n0.004833 0.004693 0.500835 Co\n0.503844 0.499573 0.752283 Co\n0.004695 0.004714 0.000812 Co\n0.503751 0.499463 0.252266 Co\n0.705420 0.862224 0.370138 C\n0.705354 0.862363 0.870114 C\n0.802164 0.645352 0.121327 C\n0.802378 0.645460 0.621367 C\n0.203719 0.353284 0.380413 C\n0.203759 0.353424 0.880430 C\n0.302514 0.140075 0.132215 C\n0.302705 0.140206 0.632221 C\n0.964540 0.882209 0.371835 O\n0.964430 0.882339 0.871815 O\n0.601899 0.905092 0.441277 O\n0.601800 0.905211 0.941248 O\n0.556348 0.808740 0.301779 O\n0.556247 0.808866 0.801741 O\n0.955647 0.703105 0.053299 O\n0.955858 0.703145 0.553348 O\n0.903411 0.600840 0.192577 O\n0.903602 0.601028 0.692638 O\n0.542643 0.623327 0.122995 O\n0.542805 0.623395 0.623011 O\n0.464133 0.374854 0.379804 O\n0.464222 0.375055 0.879836 O\n0.102328 0.387021 0.308482 O\n0.102378 0.387135 0.808490 O\n0.441802 0.178158 0.203408 O\n0.442039 0.178378 0.703403 O\n0.054455 0.306501 0.449767 O\n0.054473 0.306611 0.949779 O\n0.410978 0.102749 0.061653 O\n0.411128 0.102795 0.561660 O\n0.047130 0.128651 0.129408 O\n0.047308 0.128762 0.629411 O\n",
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{
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"structure_string": "Fe16 H16 O32\n1.0\n11.005103 0.509994 -0.379632\n0.266643 5.944341 -0.230384\n0.247823 -0.391753 10.962631\nFe H O\n16 16 32\ndirect\n0.357572 0.048400 0.088524 Fe\n0.144668 0.983399 0.649108 Fe\n0.859636 0.285265 0.579234 Fe\n0.694832 0.252267 0.103224 Fe\n0.675328 0.970884 0.831892 Fe\n0.864951 0.983699 0.299581 Fe\n0.173436 0.219117 0.387168 Fe\n0.346272 0.223053 0.814290 Fe\n0.336296 0.510454 0.097474 Fe\n0.152136 0.504219 0.656258 Fe\n0.844605 0.827002 0.589898 Fe\n0.702415 0.745377 0.122614 Fe\n0.679786 0.472552 0.828346 Fe\n0.880689 0.506731 0.299945 Fe\n0.178388 0.711742 0.366699 Fe\n0.390420 0.721886 0.806412 Fe\n0.019946 0.989875 0.450057 H\n0.362190 0.951665 0.592338 H\n0.530210 0.248667 0.922287 H\n0.943941 0.237764 0.105529 H\n0.683642 0.145116 0.641772 H\n0.634404 0.972959 0.330637 H\n0.192467 0.333166 0.205045 H\n0.499802 0.234897 0.230250 H\n0.101559 0.235467 0.850663 H\n0.383675 0.436612 0.598282 H\n0.807643 0.654327 0.750338 H\n0.998043 0.533121 0.507328 H\n0.641760 0.483646 0.319675 H\n0.207672 0.859424 0.180118 H\n0.499876 0.728486 0.043536 H\n0.113502 0.787650 0.857501 H\n0.272047 0.960046 0.365955 O\n0.048780 0.979860 0.363728 O\n0.329203 0.956985 0.674730 O\n0.331975 0.975073 0.920033 O\n0.768248 0.206017 0.848602 O\n0.534010 0.197266 0.835058 O\n0.880159 0.241638 0.166210 O\n0.843861 0.277030 0.405213 O\n0.689495 0.979817 0.652230 O\n0.973353 0.028808 0.618778 O\n0.675465 0.006040 0.257082 O\n0.672098 0.975019 0.007070 O\n0.217579 0.258070 0.125238 O\n0.475800 0.270216 0.146916 O\n0.151585 0.239466 0.778663 O\n0.163114 0.219135 0.552673 O\n0.271860 0.441213 0.374918 O\n0.056168 0.476392 0.351852 O\n0.345783 0.463145 0.678337 O\n0.343210 0.499136 0.922982 O\n0.811710 0.751703 0.827653 O\n0.564193 0.729700 0.811708 O\n0.873138 0.716071 0.176684 O\n0.837702 0.753920 0.417741 O\n0.726578 0.445669 0.660536 O\n0.971979 0.540109 0.595144 O\n0.685142 0.495859 0.244977 O\n0.658047 0.502763 0.001883 O\n0.199076 0.699184 0.186540 O\n0.451183 0.762973 0.118733 O\n0.144364 0.761878 0.774776 O\n0.165722 0.736946 0.535377 O\n",
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{
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{
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{
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"structure_string": "Sm1 Co3 B2\n1.0\n2.529452 -4.381139 0.000000\n2.529452 4.381139 0.000000\n0.000000 0.000000 3.025328\nSm Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
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{
"id": "mp-1208707",
"created_at": "2022-09-04T14:39:09.734266Z",
"structure_string": "Sr4 Li4 Ti12 Cr8 O44\n1.0\n5.812080 0.000000 0.000000\n0.000000 9.961452 0.000000\n0.000000 0.000000 13.897537\nSr Li Ti Cr O\n4 4 12 8 44\ndirect\n0.250000 0.603017 0.595453 Sr\n0.750000 0.396983 0.404547 Sr\n0.750000 0.103017 0.904547 Sr\n0.250000 0.896983 0.095453 Sr\n0.250000 0.578931 0.040204 Li\n0.750000 0.421069 0.959796 Li\n0.750000 0.078931 0.459796 Li\n0.250000 0.921069 0.540204 Li\n0.250000 0.229903 0.002334 Ti\n0.750000 0.770097 0.997666 Ti\n0.750000 0.729903 0.497666 Ti\n0.250000 0.270097 0.502334 Ti\n0.250000 0.568386 0.332509 Ti\n0.750000 0.431614 0.667491 Ti\n0.750000 0.068386 0.167491 Ti\n0.250000 0.931614 0.832509 Ti\n0.250000 0.108648 0.332309 Ti\n0.750000 0.891352 0.667691 Ti\n0.750000 0.608648 0.167691 Ti\n0.250000 0.391352 0.832309 Ti\n0.001481 0.335994 0.171859 Cr\n0.998519 0.664006 0.828141 Cr\n0.998519 0.835994 0.328141 Cr\n0.501481 0.664006 0.828141 Cr\n0.001481 0.164006 0.671859 Cr\n0.498519 0.335994 0.171859 Cr\n0.498519 0.164006 0.671859 Cr\n0.501481 0.835994 0.328141 Cr\n0.250000 0.440185 0.434890 O\n0.750000 0.559815 0.565110 O\n0.750000 0.940185 0.065110 O\n0.250000 0.059815 0.934890 O\n0.250000 0.396477 0.086802 O\n0.750000 0.603523 0.913198 O\n0.750000 0.896477 0.413198 O\n0.250000 0.103523 0.586802 O\n0.027459 0.183704 0.413880 O\n0.972541 0.816296 0.586120 O\n0.972541 0.683704 0.086120 O\n0.527459 0.816296 0.586120 O\n0.027459 0.316296 0.913880 O\n0.472541 0.183704 0.413880 O\n0.472541 0.316296 0.913880 O\n0.527459 0.683704 0.086120 O\n0.250000 0.927832 0.396896 O\n0.750000 0.072168 0.603104 O\n0.750000 0.427832 0.103104 O\n0.250000 0.572168 0.896896 O\n0.505251 0.173477 0.086210 O\n0.494749 0.826523 0.913790 O\n0.494749 0.673477 0.413790 O\n0.005251 0.826523 0.913790 O\n0.505251 0.326523 0.586210 O\n0.994749 0.173477 0.086210 O\n0.994749 0.326523 0.586210 O\n0.005251 0.673477 0.413790 O\n0.250000 0.748883 0.260919 O\n0.750000 0.251117 0.739081 O\n0.750000 0.248883 0.239081 O\n0.250000 0.751117 0.760919 O\n0.250000 0.254372 0.244935 O\n0.750000 0.745628 0.755065 O\n0.750000 0.754372 0.255065 O\n0.250000 0.245628 0.744935 O\n0.999849 0.999557 0.243735 O\n0.000151 0.000443 0.756265 O\n0.000151 0.499557 0.256265 O\n0.499849 0.000443 0.756265 O\n0.999849 0.500443 0.743735 O\n0.500151 0.999557 0.243735 O\n0.500151 0.500443 0.743735 O\n0.499849 0.499557 0.256265 O\n",
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"formula_full": "Sr4 Li4 Ti12 Cr8 O44",
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}
]
}