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{
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{
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{
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{
"id": "mp-1245433",
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"structure_string": "Ga16 Fe16 N32\n1.0\n5.236909 0.000000 0.000000\n0.000000 10.804073 0.000000\n0.000000 0.000000 12.998960\nGa Fe N\n16 16 32\ndirect\n0.613074 0.047523 0.185207 Ga\n0.113074 0.452477 0.814793 Ga\n0.386926 0.547523 0.314793 Ga\n0.886926 0.952477 0.685207 Ga\n0.386926 0.952477 0.814793 Ga\n0.886926 0.547523 0.185207 Ga\n0.613074 0.452477 0.685207 Ga\n0.113074 0.047523 0.314793 Ga\n0.800544 0.295656 0.063835 Ga\n0.300544 0.204344 0.936165 Ga\n0.199456 0.795656 0.436165 Ga\n0.699456 0.704344 0.563835 Ga\n0.199456 0.704344 0.936165 Ga\n0.699456 0.795656 0.063835 Ga\n0.800544 0.204344 0.563835 Ga\n0.300544 0.295656 0.436165 Ga\n0.648997 0.954127 0.441301 Fe\n0.148997 0.545873 0.558699 Fe\n0.351003 0.454127 0.058699 Fe\n0.851003 0.045873 0.941301 Fe\n0.351003 0.045873 0.558699 Fe\n0.851003 0.454127 0.441301 Fe\n0.648997 0.545873 0.941301 Fe\n0.148997 0.954127 0.058699 Fe\n0.783570 0.300088 0.307418 Fe\n0.283570 0.199912 0.692582 Fe\n0.216430 0.800088 0.192582 Fe\n0.716430 0.699912 0.807418 Fe\n0.216430 0.699912 0.692582 Fe\n0.716430 0.800088 0.307418 Fe\n0.783570 0.199912 0.807418 Fe\n0.283570 0.300088 0.192582 Fe\n0.728180 0.476398 0.308084 N\n0.228180 0.023602 0.691916 N\n0.271820 0.976398 0.191916 N\n0.771820 0.523602 0.808084 N\n0.271820 0.523602 0.691916 N\n0.771820 0.976398 0.308084 N\n0.728180 0.023602 0.808084 N\n0.228180 0.476398 0.191916 N\n0.675982 0.299285 0.446530 N\n0.175982 0.200715 0.553470 N\n0.324018 0.799285 0.053470 N\n0.824018 0.700715 0.946530 N\n0.324018 0.700715 0.553470 N\n0.824018 0.799285 0.446530 N\n0.675982 0.200715 0.946530 N\n0.175982 0.299285 0.053470 N\n0.704199 0.473961 0.068817 N\n0.204199 0.026039 0.931183 N\n0.295801 0.973961 0.431183 N\n0.795801 0.526039 0.568817 N\n0.295801 0.526039 0.931183 N\n0.795801 0.973961 0.068817 N\n0.704199 0.026039 0.568817 N\n0.204199 0.473961 0.431183 N\n0.628593 0.226825 0.186904 N\n0.128593 0.273175 0.813096 N\n0.371407 0.726825 0.313096 N\n0.871407 0.773175 0.686904 N\n0.371407 0.773175 0.813096 N\n0.871407 0.726825 0.186904 N\n0.628593 0.273175 0.686904 N\n0.128593 0.226825 0.313096 N\n",
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{
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"created_at": "2022-09-04T14:48:17.464555Z",
"structure_string": "Ba1 Sr1 Ge4 O12\n1.0\n5.421437 0.000000 0.000000\n0.000000 5.421437 0.000000\n0.000000 -0.000000 7.650805\nBa Sr Ge O\n1 1 4 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.751671 Ge\n0.000000 0.500000 0.248329 Ge\n0.500000 0.000000 0.751671 Ge\n0.500000 -0.000000 0.248329 Ge\n0.245280 0.245280 0.756594 O\n0.245280 0.245280 0.243406 O\n0.754720 0.754720 0.243406 O\n0.754720 0.754720 0.756594 O\n0.754720 0.245280 0.756594 O\n0.754720 0.245280 0.243406 O\n0.245280 0.754720 0.243406 O\n0.245280 0.754720 0.756594 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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"formula_full": "Ba1 Sr1 Ge4 O12",
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{
"id": "mp-1225696",
"created_at": "2022-09-04T14:48:16.266789Z",
"structure_string": "Fe3 Co1 Bi4 As4 O24\n1.0\n7.596948 0.000000 0.000000\n-2.540372 7.493195 0.000000\n-0.806116 -3.252897 8.554494\nFe Co Bi As O\n3 1 4 4 24\ndirect\n0.245737 0.241755 0.992952 Fe\n0.754263 0.758245 0.007048 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Co\n0.180128 0.502111 0.385772 Bi\n0.681774 0.002749 0.377372 Bi\n0.819872 0.497889 0.614228 Bi\n0.318226 0.997251 0.622628 Bi\n0.196409 0.001280 0.232744 As\n0.697477 0.492025 0.224665 As\n0.803591 0.998720 0.767256 As\n0.302523 0.507975 0.775335 As\n0.675634 0.689297 0.192443 O\n0.187758 0.201973 0.194995 O\n0.324366 0.310703 0.807557 O\n0.812242 0.798027 0.805005 O\n0.413510 0.985720 0.202249 O\n0.918932 0.483384 0.198479 O\n0.586490 0.014280 0.797751 O\n0.081068 0.516616 0.801521 O\n0.781256 0.493611 0.911007 O\n0.262162 0.995907 0.882775 O\n0.218744 0.506389 0.088993 O\n0.737838 0.004093 0.117225 O\n0.968698 0.196987 0.912786 O\n0.469797 0.709245 0.917570 O\n0.031302 0.803013 0.087214 O\n0.530203 0.290755 0.082430 O\n0.584692 0.196156 0.555889 O\n0.080258 0.695347 0.555531 O\n0.415308 0.803844 0.444111 O\n0.919742 0.304653 0.444469 O\n0.856286 0.982893 0.589521 O\n0.354178 0.494299 0.596991 O\n0.143714 0.017107 0.410479 O\n0.645822 0.505701 0.403009 O\n",
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{
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{
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{
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"structure_string": "Cs2 Co2 W2 O6 F6\n1.0\n6.373248 0.139565 3.634855\n2.076160 6.217572 3.946600\n-0.176691 0.256169 7.576555\nCs Co W O F\n2 2 2 6 6\ndirect\n0.371273 0.371301 0.378721 Cs\n0.628726 0.628700 0.621277 Cs\n0.999998 0.000000 0.000000 Co\n0.000000 0.999996 0.500002 Co\n0.000002 0.500008 0.999992 W\n0.500005 0.999999 0.000000 W\n0.694250 0.056906 0.035943 O\n0.056834 0.694552 0.712739 O\n0.300390 0.300351 0.949593 O\n0.699613 0.699648 0.050405 O\n0.943165 0.305446 0.287267 O\n0.305746 0.943092 0.964059 O\n0.087402 0.649638 0.080766 F\n0.077314 0.077376 0.672633 F\n0.350164 0.912378 0.318029 F\n0.649836 0.087621 0.681969 F\n0.922688 0.922624 0.327365 F\n0.912596 0.350363 0.919240 F\n",
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{
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"structure_string": "U2 Br2 O4\n1.0\n2.074350 -10.625053 0.000000\n2.074350 10.625053 0.000000\n0.000000 0.000000 4.009983\nU Br O\n2 2 4\ndirect\n0.925638 0.074362 0.250000 U\n0.074362 0.925638 0.750000 U\n0.822758 0.177242 0.750000 Br\n0.177242 0.822758 0.250000 Br\n0.423736 0.576264 0.250000 O\n0.576264 0.423736 0.750000 O\n0.965479 0.034521 0.750000 O\n0.034521 0.965479 0.250000 O\n",
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"elements": [
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],
"chemical_system": "Br-O-U",
"density": 6.574711857770845,
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"formula_full": "U2 Br2 O4",
"formula_reduced": "UBrO2",
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{
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"structure_string": "La1 Cr1 O3\n1.0\n3.927151 0.000000 0.000000\n0.000000 3.927151 0.000000\n0.000000 0.000000 3.927151\nLa Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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],
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"density": 6.549860163598633,
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},
{
"id": "mp-1177891",
"created_at": "2022-09-04T14:48:16.169170Z",
"structure_string": "Li8 Mn4 V12 O32\n1.0\n5.999703 -5.989849 0.000000\n5.999703 5.989849 0.000000\n0.019692 0.000000 8.477874\nLi Mn V O\n8 4 12 32\ndirect\n0.873438 0.123070 0.371733 Li\n0.751279 0.247490 0.751595 Li\n0.249098 0.249098 0.249098 Li\n0.123070 0.371733 0.873438 Li\n0.628787 0.628787 0.628787 Li\n0.751595 0.751279 0.247490 Li\n0.247490 0.751595 0.751279 Li\n0.371733 0.873438 0.123070 Li\n0.500696 0.995626 0.498798 Mn\n0.498798 0.500696 0.995626 Mn\n0.995626 0.498798 0.500696 Mn\n0.001538 0.001538 0.001538 Mn\n0.620818 0.122403 0.125348 V\n0.377312 0.123344 0.874850 V\n0.122403 0.125348 0.620818 V\n0.874850 0.377312 0.123344 V\n0.622787 0.371299 0.385374 V\n0.371299 0.385374 0.622787 V\n0.878026 0.623320 0.878326 V\n0.125348 0.620818 0.122403 V\n0.385374 0.622787 0.371299 V\n0.623320 0.878326 0.878026 V\n0.878326 0.878026 0.623320 V\n0.123344 0.874850 0.377312 V\n0.129516 0.105163 0.399411 O\n0.892307 0.099795 0.629370 O\n0.613402 0.114494 0.885724 O\n0.399411 0.129516 0.105163 O\n0.145254 0.120803 0.851147 O\n0.363608 0.145547 0.632901 O\n0.628492 0.138435 0.354788 O\n0.851147 0.145254 0.120803 O\n0.138435 0.354788 0.628492 O\n0.372633 0.352414 0.854690 O\n0.632901 0.363608 0.145547 O\n0.854690 0.372633 0.352414 O\n0.612040 0.371125 0.598586 O\n0.384956 0.384956 0.384956 O\n0.105163 0.399411 0.129516 O\n0.865194 0.393055 0.901909 O\n0.371125 0.598586 0.612040 O\n0.598586 0.612040 0.371125 O\n0.885724 0.613402 0.114494 O\n0.099795 0.629370 0.892307 O\n0.354788 0.628492 0.138435 O\n0.145547 0.632901 0.363608 O\n0.874634 0.647644 0.645458 O\n0.647644 0.645458 0.874634 O\n0.352414 0.854690 0.372633 O\n0.120803 0.851147 0.145254 O\n0.862383 0.862383 0.862383 O\n0.645458 0.874634 0.647644 O\n0.901909 0.865194 0.393055 O\n0.114494 0.885724 0.613402 O\n0.393055 0.901909 0.865194 O\n0.629370 0.892307 0.099795 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
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"formula_full": "Li8 Mn4 V12 O32",
"formula_reduced": "Li2MnV3O8",
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"spacegroup": 146
}
]
}