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{
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"results": [
{
"id": "jvasp-52786",
"created_at": "2022-09-04T14:36:08.041121Z",
"updated_at": "2022-09-04T14:36:08.041143Z",
"structure_string": "Fe4 O4 F4\n1.0\n4.632237 -0.000000 0.000000\n0.000000 4.632237 0.000000\n0.000000 0.000000 5.960878\nFe O F\n4 4 4\ndirect\n0.030721 0.030721 0.000000 Fe\n0.469279 0.530721 0.250000 Fe\n0.969280 0.969280 0.500000 Fe\n0.530721 0.469279 0.750000 Fe\n0.185119 0.814882 0.250000 O\n0.685119 0.685119 0.500000 O\n0.814882 0.185119 0.750000 O\n0.314881 0.314881 0.000000 O\n0.778935 0.221065 0.250000 F\n0.278935 0.278935 0.500000 F\n0.221065 0.778935 0.750000 F\n0.721066 0.721066 0.000000 F\n",
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{
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"structure_string": "Be2 Cr1 Ru1\n1.0\n-1.959777 1.959777 2.775290\n1.959777 -1.959777 2.775290\n1.959777 1.959777 -2.775290\nBe Cr Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750001 0.500001 Cr\n0.750001 0.250000 0.500001 Ru\n",
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{
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"created_at": "2022-09-04T14:37:12.986463Z",
"updated_at": "2022-09-04T14:37:12.986483Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n5.940034 0.000000 0.000000\n-0.000000 5.940034 -0.000000\n-0.000000 0.000000 8.459342\nTi Mn O\n4 8 16\ndirect\n0.500000 0.238355 0.000000 Ti\n0.761645 0.500000 0.750000 Ti\n0.238355 0.500000 0.250000 Ti\n0.500000 0.761645 0.500000 Ti\n0.751950 0.751950 0.125000 Mn\n0.248049 0.751950 0.875000 Mn\n0.248049 0.248049 0.625000 Mn\n0.751950 0.248049 0.375000 Mn\n0.249803 0.000000 0.250000 Mn\n0.750196 0.000000 0.750000 Mn\n0.000000 0.249803 0.000000 Mn\n0.000000 0.750196 0.500000 Mn\n0.249805 0.477537 0.010220 O\n0.750194 0.522463 0.510219 O\n0.750194 0.477537 0.989780 O\n0.249805 0.522463 0.489780 O\n0.477537 0.750194 0.260219 O\n0.522463 0.249805 0.760219 O\n0.981340 0.756957 0.735379 O\n0.981340 0.243042 0.764620 O\n0.756957 0.981340 0.514620 O\n0.756957 0.018659 -0.014620 O\n0.243042 0.981340 0.485379 O\n0.018659 0.756957 0.264620 O\n0.477537 0.249805 0.239780 O\n0.243042 0.018659 1.014620 O\n0.018659 0.243042 0.235380 O\n0.522463 0.750194 0.739780 O\n",
"nsites": 28,
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"density_atomic": 0.09380880127310166,
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"formula_full": "Ti4 Mn8 O16",
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"spacegroup": 95
},
{
"id": "jvasp-107386",
"created_at": "2022-09-04T14:36:44.218444Z",
"updated_at": "2022-09-04T14:36:44.218468Z",
"structure_string": "Mn1 O2\n1.0\n2.420632 -0.228592 4.094311\n0.944546 2.240435 4.094311\n-0.382362 -0.228592 4.740954\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262029 0.262029 0.262028 O\n0.737972 0.737970 0.737969 O\n",
"nsites": 3,
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"elements": [
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"volume": 31.981905636997556,
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"spacegroup": 166
},
{
"id": "jvasp-30337",
"created_at": "2022-09-04T14:37:06.036280Z",
"updated_at": "2022-09-04T14:37:06.036299Z",
"structure_string": "Co5 Bi1 O12\n1.0\n2.529750 4.394287 0.483790\n-2.557789 4.397815 0.241896\n0.435364 0.756247 8.663645\nCo Bi O\n5 1 12\ndirect\n0.166565 0.666869 0.500001 Co\n0.666671 0.666659 0.000000 Co\n0.333330 0.333343 0.000000 Co\n0.833435 0.333133 0.500000 Co\n0.500000 0.000001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.039419 0.378304 0.881285 O\n0.338903 0.000000 0.118687 O\n0.582277 0.378304 0.118715 O\n0.799951 0.667334 0.600525 O\n0.130924 0.000001 0.605446 O\n0.200050 0.332668 0.399476 O\n0.532716 0.667334 0.399476 O\n0.661097 0.000001 0.881313 O\n0.417723 0.621698 0.881286 O\n0.960581 0.621698 0.118716 O\n0.467284 0.332668 0.600525 O\n0.869076 0.000001 0.394555 O\n",
"nsites": 18,
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"formula_full": "Co5 Bi1 O12",
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"spacegroup": 12
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{
"id": "jvasp-11034",
"created_at": "2022-09-04T14:37:18.675436Z",
"updated_at": "2022-09-04T14:37:18.675453Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n2.881832 -0.000029 0.591194\n1.310795 7.195485 0.930457\n0.013327 0.595562 7.255665\nMg Cr O\n2 4 8\ndirect\n0.321100 0.154668 0.203232 Mg\n0.674362 0.822380 0.829003 Mg\n0.630731 0.172829 0.565810 Cr\n0.139385 0.519714 0.201630 Cr\n0.856086 0.457335 0.830598 Cr\n0.364732 0.804218 0.466419 Cr\n0.862941 0.668740 0.605488 O\n0.459298 0.299964 0.781563 O\n0.536172 0.677086 0.250663 O\n0.132521 0.308309 0.426745 O\n0.165517 0.984168 0.684908 O\n0.775835 0.344082 0.104355 O\n0.829948 0.992881 0.347322 O\n0.219636 0.632964 0.927876 O\n",
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"elements": [
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"density_atomic": 0.09379422561457565,
"volume": 149.26292006002123,
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"formula_full": "Mg2 Cr4 O8",
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"spacegroup": 12
},
{
"id": "jvasp-52234",
"created_at": "2022-09-04T14:37:00.624518Z",
"updated_at": "2022-09-04T14:37:00.624545Z",
"structure_string": "Li1 Cu1 F2\n1.0\n2.901284 -0.000000 0.000000\n1.450642 2.512586 0.000000\n2.901284 1.675057 5.850754\nLi Cu F\n1 1 2\ndirect\n-0.000001 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.789504 0.789508 0.315742 F\n0.210492 0.210495 0.684257 F\n",
"nsites": 4,
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{
"id": "jvasp-105565",
"created_at": "2022-09-04T14:37:16.452670Z",
"updated_at": "2022-09-04T14:37:16.452687Z",
"structure_string": "Li2 Mn2 N4\n1.0\n3.196867 -0.000000 -4.173393\n-3.196868 3.196868 -0.000000\n0.000000 0.000000 8.346786\nLi Mn N\n2 2 4\ndirect\n0.000000 0.500000 0.750000 Li\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.063454 0.125000 N\n0.500000 0.936546 0.625001 N\n0.373092 0.436546 0.311546 N\n0.626908 0.563455 0.938455 N\n",
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{
"id": "jvasp-42259",
"created_at": "2022-09-04T14:36:17.661900Z",
"updated_at": "2022-09-04T14:36:17.661926Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.276435 0.004461 -0.018457\n0.021726 5.714264 -0.053793\n-0.020645 1.373805 7.768086\nLi Mn B O\n2 4 4 12\ndirect\n0.343810 0.049128 0.257847 Li\n0.656189 0.950872 0.742154 Li\n0.177070 0.194625 0.559984 Mn\n0.294838 0.348949 0.916390 Mn\n0.705161 0.651050 0.083611 Mn\n0.822929 0.805375 0.440017 Mn\n0.824474 0.151685 0.096629 B\n0.676093 0.321851 0.418305 B\n0.323906 0.678149 0.581695 B\n0.175524 0.848315 0.903372 B\n0.197430 0.861173 0.472859 O\n0.575304 0.692449 0.614642 O\n0.184122 0.488338 0.666482 O\n0.672859 0.333631 0.010755 O\n0.327140 0.666369 0.989246 O\n0.081477 0.169425 0.104662 O\n0.424695 0.307551 0.385359 O\n0.802569 0.138827 0.527141 O\n0.305243 0.045349 0.810835 O\n0.694756 0.954651 0.189166 O\n0.815877 0.511662 0.333519 O\n0.918522 0.830574 0.895338 O\n",
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{
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"created_at": "2022-09-04T14:36:20.689950Z",
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"structure_string": "V4 W2 O12\n1.0\n4.664805 -0.000000 0.000000\n0.000000 4.664805 0.000000\n0.000000 0.000000 8.820962\nV W O\n4 2 12\ndirect\n0.000000 0.000000 0.333434 V\n0.499998 0.499998 0.833433 V\n0.499998 0.499998 0.166567 V\n0.000000 0.000000 0.666566 V\n0.000000 0.000000 0.000000 W\n0.499998 0.499998 0.499999 W\n0.702532 0.702532 0.000000 O\n0.298933 0.298933 0.337135 O\n0.201066 0.798933 0.837136 O\n0.701064 0.701064 0.662864 O\n0.297467 0.297467 0.000000 O\n0.798933 0.201066 0.837136 O\n0.798933 0.201066 0.162864 O\n0.201066 0.798933 0.162864 O\n0.701064 0.701064 0.337135 O\n0.298933 0.298933 0.662864 O\n0.202534 0.797465 0.499999 O\n0.797465 0.202534 0.499999 O\n",
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{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:35:41.539432Z",
"updated_at": "2022-09-04T14:35:41.539463Z",
"structure_string": "Pu4 B16 Mo4\n1.0\n3.658247 0.000000 0.000000\n0.000000 6.012767 0.000000\n0.000000 0.000000 11.636305\nPu B Mo\n4 16 4\ndirect\n0.000000 0.125800 0.849388 Pu\n0.000000 0.874201 0.150612 Pu\n0.000000 0.374201 0.349388 Pu\n0.000000 0.625800 0.650612 Pu\n0.500000 0.974426 0.692944 B\n0.500000 0.025575 0.307057 B\n0.500000 0.525575 0.192943 B\n0.500000 0.474426 0.807057 B\n0.500000 0.884949 0.547314 B\n0.500000 0.115052 0.452687 B\n0.500000 0.615052 0.047314 B\n0.500000 0.384948 0.952687 B\n0.500000 0.866353 0.967991 B\n0.500000 0.133648 0.032010 B\n0.500000 0.633648 0.467990 B\n0.500000 0.366352 0.532010 B\n0.500000 0.787450 0.813347 B\n0.500000 0.212550 0.186653 B\n0.500000 0.712551 0.313347 B\n0.500000 0.287450 0.686653 B\n0.000000 0.131467 0.585769 Mo\n0.000000 0.868534 0.414232 Mo\n0.000000 0.368534 0.085769 Mo\n0.000000 0.631467 0.914232 Mo\n",
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"density": 9.943836145596661,
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}
]
}