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{
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{
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{
"id": "mp-24618",
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"structure_string": "Al4 H40 N8 O4 F20\n1.0\n7.670783 0.000000 0.000000\n0.000000 8.176043 0.000000\n0.000000 0.000000 10.562277\nAl H N O F\n4 40 8 4 20\ndirect\n0.750000 0.303575 0.500000 Al\n0.250000 0.196425 0.000000 Al\n0.250000 0.696425 0.500000 Al\n0.750000 0.803575 0.000000 Al\n0.897655 0.510342 0.118754 H\n0.397655 0.989658 0.381246 H\n0.602345 0.510342 0.881246 H\n0.102345 0.989658 0.618754 H\n0.102345 0.489658 0.881246 H\n0.602345 0.010342 0.618754 H\n0.397655 0.489658 0.118754 H\n0.897655 0.010342 0.381246 H\n0.044059 0.371493 0.177677 H\n0.544059 0.128507 0.322323 H\n0.455941 0.371493 0.822323 H\n0.955941 0.128507 0.677677 H\n0.955941 0.628507 0.822323 H\n0.455941 0.871493 0.677677 H\n0.544059 0.628507 0.177677 H\n0.044059 0.871493 0.322323 H\n0.862984 0.415000 0.259233 H\n0.362984 0.085000 0.240767 H\n0.637016 0.415000 0.740767 H\n0.862984 0.915000 0.240767 H\n0.137016 0.585000 0.740767 H\n0.637016 0.915000 0.759233 H\n0.362984 0.585000 0.259233 H\n0.024031 0.056391 0.253019 H\n0.024031 0.556392 0.246981 H\n0.524031 0.943608 0.253019 H\n0.475969 0.556392 0.753019 H\n0.975969 0.943608 0.746981 H\n0.644127 0.106434 0.018797 H\n0.144127 0.393566 0.481203 H\n0.855873 0.106434 0.981203 H\n0.355873 0.393566 0.518797 H\n0.355873 0.893566 0.981203 H\n0.855873 0.606434 0.518797 H\n0.144127 0.893566 0.018797 H\n0.644127 0.606434 0.481203 H\n0.475969 0.056391 0.746981 H\n0.524031 0.443609 0.246981 H\n0.975969 0.443609 0.753019 H\n0.137016 0.085000 0.759233 H\n0.043069 0.035456 0.700036 N\n0.543069 0.464544 0.799964 N\n0.456931 0.035456 0.299964 N\n0.956931 0.464544 0.200036 N\n0.043069 0.535456 0.799964 N\n0.456931 0.535456 0.200036 N\n0.956931 0.964544 0.299964 N\n0.543069 0.964544 0.700036 N\n0.750000 0.538407 0.500000 O\n0.250000 0.961593 0.000000 O\n0.250000 0.461593 0.500000 O\n0.750000 0.038407 0.000000 O\n0.676308 0.806261 0.167681 F\n0.176308 0.193739 0.167681 F\n0.823692 0.306261 0.667681 F\n0.323692 0.193739 0.832319 F\n0.323692 0.693739 0.667681 F\n0.823692 0.806261 0.832319 F\n0.176308 0.693739 0.332319 F\n0.676308 0.306261 0.332319 F\n0.974595 0.302089 0.447136 F\n0.474595 0.197911 0.052864 F\n0.750000 0.579553 0.000000 F\n0.025405 0.197911 0.947136 F\n0.025405 0.697911 0.552864 F\n0.525405 0.802089 0.947136 F\n0.474595 0.697911 0.447136 F\n0.974595 0.802089 0.052864 F\n0.750000 0.079553 0.500000 F\n0.250000 0.420447 0.000000 F\n0.250000 0.920447 0.500000 F\n0.525405 0.302089 0.552864 F\n",
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"formula_full": "Al4 H40 N8 O4 F20",
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{
"id": "mp-758060",
"created_at": "2022-09-04T14:46:05.060720Z",
"structure_string": "Fe8 C8 O28\n1.0\n6.725770 0.000000 0.000000\n0.000000 9.136968 0.000000\n0.000000 2.408947 9.368706\nFe C O\n8 8 28\ndirect\n0.439121 0.744449 0.651731 Fe\n0.388180 0.972310 0.247769 Fe\n0.060879 0.744449 0.151731 Fe\n0.111820 0.972310 0.747769 Fe\n0.888180 0.027690 0.252231 Fe\n0.939121 0.255551 0.848269 Fe\n0.611820 0.027690 0.752231 Fe\n0.560879 0.255551 0.348269 Fe\n0.808875 0.793626 0.648499 C\n0.265364 0.675512 0.440035 C\n0.691125 0.793626 0.148499 C\n0.765364 0.324488 0.059965 C\n0.234636 0.675512 0.940035 C\n0.308875 0.206374 0.851501 C\n0.734636 0.324488 0.559965 C\n0.191125 0.206374 0.351501 C\n0.625377 0.052423 0.326321 O\n0.987037 0.847982 0.628839 O\n0.322909 0.634923 0.839596 O\n0.330879 0.817717 0.427611 O\n0.720944 0.725342 0.565980 O\n0.874623 0.052423 0.826321 O\n0.512963 0.847982 0.128839 O\n0.800770 0.811856 0.257463 O\n0.803823 0.411824 0.936586 O\n0.303823 0.588176 0.563414 O\n0.177091 0.634923 0.339596 O\n0.300770 0.188144 0.242537 O\n0.169121 0.817717 0.927611 O\n0.220944 0.274658 0.934020 O\n0.779056 0.725342 0.065980 O\n0.830879 0.182283 0.072389 O\n0.699230 0.811856 0.757463 O\n0.822909 0.365077 0.660404 O\n0.696177 0.411824 0.436586 O\n0.196177 0.588176 0.063414 O\n0.199230 0.188144 0.742537 O\n0.487037 0.152018 0.871161 O\n0.125377 0.947577 0.173679 O\n0.279056 0.274658 0.434020 O\n0.669121 0.182283 0.572389 O\n0.677091 0.365077 0.160404 O\n0.012963 0.152018 0.371161 O\n0.374623 0.947577 0.673679 O\n",
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{
"id": "mp-776770",
"created_at": "2022-09-04T14:46:05.075473Z",
"structure_string": "Li8 Fe8 F40\n1.0\n-7.239596 7.239596 3.334679\n7.239596 -7.239596 3.334679\n7.239596 7.239596 -3.334679\nLi Fe F\n8 8 40\ndirect\n0.522766 0.565738 0.782013 Li\n0.466276 0.009247 0.282013 Li\n0.815738 0.533724 0.542971 Li\n0.259247 0.477234 0.042971 Li\n0.434262 0.216276 0.957029 Li\n0.990753 0.272766 0.457029 Li\n0.727234 0.184262 0.717987 Li\n0.783724 0.740753 0.217987 Li\n0.486910 0.693839 0.392661 Fe\n0.344249 0.236910 0.293071 Fe\n0.943839 0.051178 0.706929 Fe\n0.301178 0.094249 0.607339 Fe\n0.948822 0.655751 0.892661 Fe\n0.306161 0.698822 0.793071 Fe\n0.905751 0.513090 0.206929 Fe\n0.763090 0.056161 0.107339 Fe\n0.709318 0.802700 0.340999 F\n0.350852 0.424774 0.377418 F\n0.674774 0.797356 0.573923 F\n0.052700 0.211701 0.593382 F\n0.618319 0.459318 0.406618 F\n0.223434 0.100852 0.426077 F\n0.354736 0.076864 0.240021 F\n0.413157 0.635285 0.740021 F\n0.047356 0.973434 0.622582 F\n0.122380 0.815572 0.534510 F\n0.968938 0.162130 0.034510 F\n0.798703 0.366733 0.334189 F\n0.217455 0.285486 0.834189 F\n0.461701 0.368319 0.659001 F\n0.184428 0.718938 0.306808 F\n0.837870 0.872380 0.806808 F\n0.616733 0.782545 0.068031 F\n0.535486 0.201297 0.568031 F\n0.885285 0.645264 0.722128 F\n0.326864 0.586843 0.222128 F\n0.923136 0.163157 0.277872 F\n0.364715 0.104736 0.777872 F\n0.633267 0.967455 0.431969 F\n0.714514 0.548703 0.931969 F\n0.412130 0.877620 0.693192 F\n0.065572 0.031062 0.193192 F\n0.788299 0.381681 0.840999 F\n0.032545 0.464514 0.665811 F\n0.451297 0.383267 0.165811 F\n0.281062 0.587870 0.465490 F\n0.127620 0.934428 0.965490 F\n0.202644 0.776566 0.877418 F\n0.836843 0.114715 0.759979 F\n0.895264 0.673136 0.259979 F\n0.026566 0.649148 0.073923 F\n0.631681 0.290682 0.093382 F\n0.197300 0.538299 0.906618 F\n0.575226 0.952644 0.926077 F\n0.899148 0.325226 0.122582 F\n0.540682 0.947300 0.159001 F\n",
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"formula_full": "Li8 Fe8 F40",
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{
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{
"id": "mp-1174247",
"created_at": "2022-09-04T14:46:05.106334Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n1.456703 7.728862 0.000000\n-1.456703 7.728862 0.000000\n0.000000 2.095120 7.990580\nLi Mn Co O\n6 2 2 10\ndirect\n0.697632 0.697632 0.906687 Li\n0.911366 0.911366 0.278364 Li\n0.088634 0.088634 0.721636 Li\n0.302368 0.302368 0.093313 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.300919 0.300919 0.603511 Mn\n0.699081 0.699081 0.396489 Mn\n0.907177 0.907177 0.820378 Co\n0.092823 0.092823 0.179622 Co\n0.885213 0.885213 0.554661 O\n0.103524 0.103524 0.959474 O\n0.288502 0.288502 0.365503 O\n0.495311 0.495311 0.743340 O\n0.695904 0.695904 0.171732 O\n0.504689 0.504689 0.256660 O\n0.711498 0.711498 0.634497 O\n0.896476 0.896476 0.040526 O\n0.114787 0.114787 0.445339 O\n0.304096 0.304096 0.828268 O\n",
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{
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"structure_string": "Sr4 Hf2 Fe2 O12\n1.0\n2.855106 -2.836554 4.041768\n8.500139 -2.840252 -3.997890\n-0.006417 5.664057 -0.001995\nSr Hf Fe O\n4 2 2 12\ndirect\n0.615752 0.125467 0.370936 Sr\n0.132347 0.625039 0.878642 Sr\n0.867689 0.374924 0.121353 Sr\n0.384247 0.874495 0.629071 Sr\n0.238607 0.250090 0.744633 Hf\n0.761370 0.749957 0.255356 Hf\n0.500063 0.500060 0.499979 Fe\n0.999811 0.000119 0.999980 Fe\n0.598156 0.114489 0.857122 O\n0.169330 0.630538 0.399406 O\n0.830676 0.369441 0.600583 O\n0.401825 0.885475 0.142878 O\n0.349037 0.382354 0.119603 O\n0.907944 0.874399 0.652430 O\n0.092079 0.125583 0.347627 O\n0.650995 0.617613 0.880419 O\n0.091372 0.126393 0.871880 O\n0.651703 0.617570 0.385339 O\n0.348339 0.382402 0.614649 O\n0.908658 0.873593 0.128114 O\n",
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{
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"structure_string": "K2 Rb1 Sc1 Br6\n1.0\n0.000000 5.889366 5.889366\n5.889366 0.000000 5.889366\n5.889366 5.889366 0.000000\nK Rb Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.774607 0.225393 0.225393 Br\n0.225393 0.225393 0.774607 Br\n0.225393 0.774607 0.774607 Br\n0.225393 0.774607 0.225393 Br\n0.774607 0.225393 0.774607 Br\n0.774607 0.774607 0.225393 Br\n",
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