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{
"id": "mp-26123",
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{
"id": "mp-778208",
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"structure_string": "Li12 V16 O12 F36\n1.0\n10.388748 0.000000 0.000000\n5.139918 9.050074 0.000000\n5.155822 2.988448 9.358469\nLi V O F\n12 16 12 36\ndirect\n0.375808 0.379487 0.368063 Li\n0.601495 0.611337 0.187652 Li\n0.370069 0.876793 0.880763 Li\n0.608238 0.104997 0.693677 Li\n0.145141 0.641253 0.057380 Li\n0.882007 0.373297 0.366798 Li\n0.876378 0.878511 0.369508 Li\n0.144235 0.139772 0.558866 Li\n0.873214 0.374364 0.881387 Li\n0.106057 0.607258 0.692290 Li\n0.642351 0.143534 0.058812 Li\n0.638819 0.645916 0.562042 Li\n0.257637 0.742736 0.257019 V\n0.260728 0.237795 0.757838 V\n0.015950 0.488069 0.494037 V\n0.764344 0.234302 0.254724 V\n0.996660 0.015324 0.483186 V\n0.235091 0.251254 0.261341 V\n0.013319 0.987742 0.993462 V\n0.759918 0.739493 0.755244 V\n0.993541 0.516185 0.986936 V\n0.233817 0.755835 0.760955 V\n0.511927 0.990149 0.493276 V\n0.492287 0.516691 0.488342 V\n0.732917 0.757816 0.261171 V\n0.512198 0.490002 0.993768 V\n0.491755 0.017837 0.990071 V\n0.734167 0.255159 0.763501 V\n0.381871 0.563867 0.364258 O\n0.378349 0.063010 0.868904 O\n0.871828 0.061379 0.375057 O\n0.189082 0.371868 0.379140 O\n0.059934 0.190276 0.384847 O\n0.878442 0.564109 0.865684 O\n0.187603 0.873047 0.878293 O\n0.076088 0.673606 0.875433 O\n0.688369 0.870084 0.382764 O\n0.577607 0.672489 0.376313 O\n0.688201 0.372291 0.881912 O\n0.576440 0.174231 0.875077 O\n0.446475 0.809972 0.117787 F\n0.312270 0.624305 0.121974 F\n0.448350 0.308032 0.617947 F\n0.941560 0.800238 0.131085 F\n0.800703 0.631650 0.126443 F\n0.311780 0.125101 0.620767 F\n0.623141 0.437987 0.132046 F\n0.869278 0.553664 0.385803 F\n0.695924 0.381061 0.364700 F\n0.558742 0.192392 0.373424 F\n0.942829 0.305406 0.629558 F\n0.931407 0.322921 0.117642 F\n0.803193 0.140184 0.618809 F\n0.106554 0.447288 0.133748 F\n0.624489 0.939161 0.628590 F\n0.811591 0.121056 0.121611 F\n0.865250 0.065841 0.889443 F\n0.682397 0.886446 0.860269 F\n0.557291 0.692931 0.874613 F\n0.946473 0.808447 0.617567 F\n0.442947 0.305309 0.133740 F\n0.115348 0.946340 0.624407 F\n0.313480 0.136849 0.125406 F\n0.812281 0.625091 0.617940 F\n0.125243 0.924903 0.129262 F\n0.362408 0.063532 0.391719 F\n0.187958 0.876203 0.369949 F\n0.056780 0.690388 0.376680 F\n0.442205 0.803670 0.630887 F\n0.302157 0.634125 0.622897 F\n0.616768 0.947911 0.127269 F\n0.128846 0.438900 0.627385 F\n0.364037 0.565925 0.890149 F\n0.184363 0.387152 0.859498 F\n0.058123 0.192118 0.874211 F\n0.620222 0.447304 0.623588 F\n",
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"formula_full": "Li12 V16 O12 F36",
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{
"id": "mp-542474",
"created_at": "2022-09-04T14:41:18.645606Z",
"structure_string": "Hg12 S8 I4 Cl4\n1.0\n4.764830 9.408905 0.000000\n-4.764830 9.408905 0.000000\n0.000000 9.091772 9.812987\nHg S I Cl\n12 8 4 4\ndirect\n0.714323 0.285677 0.500000 Hg\n0.285677 0.714323 0.500000 Hg\n0.889046 0.889046 0.753145 Hg\n0.110954 0.110954 0.246855 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.595869 0.595869 0.788218 Hg\n0.404131 0.404131 0.211782 Hg\n0.447898 0.013163 0.794922 Hg\n0.986837 0.552102 0.205078 Hg\n0.552102 0.986837 0.205078 Hg\n0.013163 0.447898 0.794922 Hg\n0.369458 0.879715 0.747618 S\n0.120285 0.630542 0.252382 S\n0.630542 0.120285 0.252382 S\n0.879715 0.369458 0.747618 S\n0.625086 0.137906 0.749315 S\n0.862094 0.374914 0.250685 S\n0.374914 0.862094 0.250685 S\n0.137906 0.625086 0.749315 S\n0.372950 0.372950 0.000467 I\n0.627050 0.627050 0.999533 I\n0.122610 0.122610 0.506171 I\n0.877390 0.877390 0.493829 I\n0.145768 0.145768 0.976819 Cl\n0.854232 0.854232 0.023181 Cl\n0.627861 0.627861 0.478243 Cl\n0.372139 0.372139 0.521757 Cl\n",
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"elements": [
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],
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{
"id": "mp-639811",
"created_at": "2022-09-04T14:43:10.861079Z",
"structure_string": "K12 Ir12 O36\n1.0\n9.582338 0.000000 0.000000\n0.000000 9.582338 0.000000\n0.000000 0.000000 9.582338\nK Ir O\n12 12 36\ndirect\n0.345348 0.345348 0.345348 K\n0.845348 0.154652 0.845348 K\n0.654652 0.654652 0.345348 K\n0.845348 0.845348 0.154652 K\n0.154652 0.154652 0.154652 K\n0.345348 0.654652 0.654652 K\n0.250000 0.250000 0.750000 K\n0.654652 0.345348 0.654652 K\n0.750000 0.750000 0.750000 K\n0.154652 0.845348 0.845348 K\n0.750000 0.250000 0.250000 K\n0.250000 0.750000 0.250000 K\n0.000000 0.341226 0.500000 Ir\n0.500000 0.841226 0.000000 Ir\n0.841226 0.000000 0.500000 Ir\n0.000000 0.500000 0.158774 Ir\n0.000000 0.500000 0.841226 Ir\n0.500000 0.000000 0.341226 Ir\n0.000000 0.658774 0.500000 Ir\n0.500000 0.000000 0.658774 Ir\n0.341226 0.500000 0.000000 Ir\n0.158774 0.000000 0.500000 Ir\n0.658774 0.500000 0.000000 Ir\n0.500000 0.158774 0.000000 Ir\n0.996712 0.653246 0.295745 O\n0.503288 0.153246 0.795745 O\n0.295745 0.003288 0.346754 O\n0.846754 0.204255 0.503288 O\n0.136690 0.500000 0.500000 O\n0.496712 0.846754 0.795745 O\n0.500000 0.500000 0.863310 O\n0.500000 0.500000 0.136690 O\n0.503288 0.846754 0.204255 O\n0.204255 0.503288 0.846754 O\n0.003288 0.346754 0.295745 O\n0.496712 0.153246 0.204255 O\n0.795745 0.496712 0.846754 O\n0.653246 0.704255 0.003288 O\n0.704255 0.996712 0.346754 O\n0.153246 0.204255 0.496712 O\n0.704255 0.003288 0.653246 O\n0.795745 0.503288 0.153246 O\n0.500000 0.136690 0.500000 O\n0.363310 0.000000 0.000000 O\n0.000000 0.000000 0.363310 O\n0.500000 0.863310 0.500000 O\n0.996712 0.346754 0.704255 O\n0.000000 0.363310 0.000000 O\n0.000000 0.000000 0.636690 O\n0.846754 0.795745 0.496712 O\n0.346754 0.704255 0.996712 O\n0.153246 0.795745 0.503288 O\n0.204255 0.496712 0.153246 O\n0.000000 0.636690 0.000000 O\n0.346754 0.295745 0.003288 O\n0.863310 0.500000 0.500000 O\n0.653246 0.295745 0.996712 O\n0.295745 0.996712 0.653246 O\n0.003288 0.653246 0.704255 O\n0.636690 0.000000 0.000000 O\n",
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{
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{
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"created_at": "2022-09-04T14:46:01.241534Z",
"structure_string": "Li9 Mn7 V12 O48\n1.0\n5.029336 0.000000 0.000000\n-0.007887 10.200096 0.000000\n-0.172538 -0.009108 17.151331\nLi Mn V O\n9 7 12 48\ndirect\n0.097351 0.749467 0.749333 Li\n0.247777 0.582529 0.032310 Li\n0.257145 0.420444 0.527940 Li\n0.258650 0.079409 0.527531 Li\n0.244934 0.744647 0.195797 Li\n0.748520 0.246712 0.808235 Li\n0.753889 0.081296 0.970624 Li\n0.752606 0.747300 0.299094 Li\n0.902167 0.249811 0.251475 Li\n0.203615 0.248562 0.699614 Mn\n0.237851 0.934725 0.025432 Mn\n0.403966 0.250675 0.249469 Mn\n0.597262 0.750341 0.751509 Mn\n0.760016 0.932118 0.472486 Mn\n0.758224 0.567417 0.472667 Mn\n0.763980 0.433417 0.977468 Mn\n0.225339 0.252868 0.056430 V\n0.225296 0.971467 0.344963 V\n0.224104 0.528473 0.345205 V\n0.288674 0.475083 0.846906 V\n0.285747 0.024410 0.842845 V\n0.287659 0.749727 0.556211 V\n0.712394 0.249597 0.441002 V\n0.716442 0.524926 0.158104 V\n0.713071 0.975252 0.153654 V\n0.773380 0.472209 0.656513 V\n0.775446 0.027023 0.656051 V\n0.772997 0.752497 0.944327 V\n0.062984 0.766391 0.004770 O\n0.065935 0.385136 0.631297 O\n0.066360 0.115773 0.629752 O\n0.105161 0.373893 0.787228 O\n0.086638 0.124520 0.783496 O\n0.079157 0.880939 0.534135 O\n0.078211 0.619088 0.533996 O\n0.087047 0.988751 0.926266 O\n0.069868 0.506555 0.925177 O\n0.172705 0.252650 0.157264 O\n0.175666 0.376070 0.296181 O\n0.173246 0.121878 0.295343 O\n0.364554 0.877010 0.792278 O\n0.365084 0.620205 0.796252 O\n0.368023 0.748534 0.655363 O\n0.438453 0.501704 0.427264 O\n0.441519 0.997205 0.426678 O\n0.400472 0.108548 0.033837 O\n0.447802 0.375969 0.032418 O\n0.396621 0.874288 0.287657 O\n0.406213 0.625960 0.291425 O\n0.419602 0.888977 0.119683 O\n0.447946 0.612455 0.129538 O\n0.449639 0.249881 0.500300 O\n0.583428 0.749753 0.491315 O\n0.576023 0.390286 0.879228 O\n0.556602 0.108874 0.870519 O\n0.570705 0.373936 0.708391 O\n0.567765 0.124856 0.705589 O\n0.554649 0.876325 0.967666 O\n0.599834 0.607824 0.965927 O\n0.596959 0.984484 0.570325 O\n0.595511 0.514748 0.570762 O\n0.627502 0.248229 0.341689 O\n0.633999 0.375832 0.207871 O\n0.633187 0.121095 0.203719 O\n0.828090 0.877557 0.707619 O\n0.828573 0.620127 0.708787 O\n0.824808 0.753027 0.842173 O\n0.919840 0.487370 0.071679 O\n0.931752 0.008304 0.072898 O\n0.908106 0.394129 0.462519 O\n0.909204 0.105631 0.462714 O\n0.890944 0.879443 0.211843 O\n0.917623 0.617753 0.214649 O\n0.926160 0.887840 0.378300 O\n0.925189 0.612131 0.378982 O\n0.936142 0.265668 0.994047 O\n",
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"updated_at": "2021-11-28T01:38:07.156000Z",
"spacegroup": 29
}
]
}