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"results": [
{
"id": "jvasp-44436",
"created_at": "2022-09-04T14:36:35.522229Z",
"updated_at": "2022-09-04T14:36:35.522248Z",
"structure_string": "Nb4 V4 O16\n1.0\n0.000000 4.627803 0.006774\n4.905172 0.000000 0.000000\n0.000000 -4.610230 -11.680882\nNb V O\n4 4 16\ndirect\n0.176021 0.250048 0.676029 Nb\n0.176021 0.249952 0.176029 Nb\n0.823978 0.750048 0.823971 Nb\n0.823979 0.749951 0.323972 Nb\n0.439560 0.250017 0.939556 V\n0.439560 0.249983 0.439556 V\n0.560439 0.750017 0.560444 V\n0.560439 0.749982 0.060444 V\n0.459378 0.577079 0.687276 O\n0.915160 0.577022 0.187271 O\n0.319417 0.080471 0.561865 O\n0.804293 0.080465 0.061855 O\n0.195706 0.580465 0.438145 O\n0.084839 0.077022 0.312730 O\n0.915160 0.922977 0.687271 O\n0.084839 0.422978 0.812729 O\n0.195706 0.919535 0.938145 O\n0.680582 0.919529 0.438135 O\n0.319417 0.419529 0.061865 O\n0.540621 0.422921 0.312724 O\n0.680582 0.580471 0.938135 O\n0.540621 0.077079 0.812724 O\n0.804293 0.419535 0.561855 O\n0.459378 0.922921 0.187276 O\n",
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{
"id": "jvasp-43389",
"created_at": "2022-09-04T14:36:13.290808Z",
"updated_at": "2022-09-04T14:36:13.290834Z",
"structure_string": "Li4 Mn1 W3 O12\n1.0\n0.000000 4.941456 -0.026173\n8.853891 0.000000 0.000000\n0.000000 -0.104899 -5.047017\nLi Mn W O\n4 1 3 12\ndirect\n0.000000 0.703895 0.000000 Li\n0.500000 0.833536 -0.000000 Li\n-0.000000 0.353019 0.500000 Li\n0.500000 0.196834 0.500000 Li\n0.000000 0.106346 0.000000 Mn\n0.500000 0.618334 0.500000 W\n0.500000 0.393925 -0.000000 W\n-0.000000 0.936705 0.500000 W\n0.804689 0.900265 0.187010 O\n0.292722 0.434067 0.312122 O\n0.227325 0.073403 0.343217 O\n0.256588 0.750873 0.348013 O\n0.743413 0.750873 0.651987 O\n0.295254 0.577170 0.810297 O\n0.707278 0.434067 0.687878 O\n0.195312 0.900265 0.812990 O\n0.704746 0.577170 0.189703 O\n0.262116 0.263465 0.835004 O\n0.772675 0.073403 0.656783 O\n0.737885 0.263465 0.164996 O\n",
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"formula_anonymous": "AB3C4D12",
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{
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"created_at": "2022-09-04T14:36:51.281808Z",
"updated_at": "2022-09-04T14:36:51.281820Z",
"structure_string": "Li4 P4 W2 O16\n1.0\n0.000000 5.829151 -0.001418\n4.876144 0.000000 0.000000\n0.000000 -0.002506 -10.100040\nLi P W O\n4 4 2 16\ndirect\n0.730801 0.684616 0.443757 Li\n0.730801 0.315383 0.943757 Li\n0.730683 0.272161 0.265462 Li\n0.730683 0.727838 0.765462 Li\n0.230771 0.392285 0.419726 P\n0.230771 0.607715 0.919726 P\n0.730777 0.827390 0.089204 P\n0.730776 0.172609 0.589204 P\n0.230774 0.184870 0.731806 W\n0.230775 0.815129 0.231806 W\n0.730764 0.924296 0.946863 O\n0.730764 0.075704 0.446863 O\n0.730771 0.479641 0.608093 O\n0.730772 0.520358 0.108093 O\n0.523224 0.029607 0.667838 O\n0.523225 0.970392 0.167838 O\n0.436234 0.451405 0.850485 O\n0.230782 0.558573 0.069162 O\n0.230764 0.913608 0.889281 O\n0.230764 0.086391 0.389281 O\n0.230781 0.441426 0.569162 O\n0.938333 0.970389 0.167829 O\n0.025316 0.451370 0.850496 O\n0.025316 0.548629 0.350496 O\n0.436234 0.548594 0.350485 O\n0.938333 0.029611 0.667829 O\n",
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{
"id": "jvasp-112336",
"created_at": "2022-09-04T14:38:27.108994Z",
"updated_at": "2022-09-04T14:38:27.109014Z",
"structure_string": "Zn1 Cu1 P2 O7\n1.0\n5.234282 -0.040893 1.035708\n-1.254028 5.082007 1.035708\n-0.033770 -0.042771 4.557095\nZn Cu P O\n1 1 2 7\ndirect\n0.318921 0.681079 0.500000 Zn\n0.699429 0.300572 0.500000 Cu\n0.212755 0.203132 0.092016 P\n0.796868 0.787246 0.907984 P\n0.073333 0.369077 0.278964 O\n0.365039 0.045883 0.270103 O\n0.954117 0.634962 0.729896 O\n0.630923 0.926668 0.721036 O\n0.392247 0.371517 0.782123 O\n0.628484 0.607753 0.217876 O\n-0.015316 0.015316 -0.000000 O\n",
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],
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"density_atomic": 0.0905687985054434,
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"formula_full": "Zn1 Cu1 P2 O7",
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"formula_anonymous": "ABC2D7",
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{
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"created_at": "2022-09-04T14:38:53.614407Z",
"updated_at": "2022-09-04T14:38:53.614424Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.963404 -0.006880 0.019671\n0.070327 5.402446 0.067525\n0.001736 0.014903 6.176528\nLi Fe Si O\n3 2 2 8\ndirect\n0.511202 0.663008 0.252256 Li\n0.506998 0.668030 0.751249 Li\n-0.000846 0.331930 0.748808 Li\n0.008724 0.827671 0.007778 Fe\n0.499411 0.174662 0.490352 Fe\n0.492282 0.167431 0.995357 Si\n0.004771 0.836160 0.505105 Si\n0.614606 0.877682 0.999458 O\n0.163795 0.148813 0.980843 O\n0.579736 0.316506 0.212860 O\n0.121400 0.705235 0.285180 O\n0.116777 0.119705 0.520051 O\n0.670262 0.839113 0.501312 O\n0.102935 0.677728 0.725665 O\n0.602033 0.315390 0.774190 O\n",
"nsites": 15,
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"O"
],
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"volume": 165.6184755086205,
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"formula_full": "Li3 Fe2 Si2 O8",
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"formula_anonymous": "A2B2C3D8",
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},
{
"id": "jvasp-12578",
"created_at": "2022-09-04T14:37:11.639229Z",
"updated_at": "2022-09-04T14:37:11.639254Z",
"structure_string": "K2 Li4 H6 O6\n1.0\n0.000000 5.127244 -0.214047\n5.553222 0.000000 0.000000\n0.000000 -0.419879 -6.962547\nK Li H O\n2 4 6 6\ndirect\n0.778693 0.250000 0.499522 K\n0.221307 0.750000 0.500479 K\n0.637233 0.549066 0.134627 Li\n0.637233 0.950933 0.134627 Li\n0.362766 0.450933 0.865374 Li\n0.362766 0.049067 0.865374 Li\n0.787947 0.250000 0.936450 H\n0.212052 0.750000 0.063551 H\n0.833741 0.750000 0.805239 H\n0.166258 0.250000 0.194762 H\n0.776048 0.750000 0.704345 H\n0.223952 0.250000 0.295656 H\n0.907945 0.750000 0.208075 O\n0.092054 0.250000 0.791926 O\n0.700849 0.750000 0.365568 O\n0.375522 0.750000 0.991508 O\n0.299150 0.250000 0.634433 O\n0.624477 0.250000 0.008493 O\n",
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"elements": [
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],
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"volume": 198.74176970970683,
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"formula_full": "K2 Li4 H6 O6",
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{
"id": "jvasp-9951",
"created_at": "2022-09-04T14:37:18.541427Z",
"updated_at": "2022-09-04T14:37:18.541447Z",
"structure_string": "V4 O8\n1.0\n2.870261 0.000000 -0.000000\n-1.435131 4.651830 -0.000000\n-0.000000 0.000000 9.923022\nV O\n4 8\ndirect\n0.868828 0.737658 0.079279 V\n0.131172 0.262342 0.920721 V\n0.868828 0.737658 0.420721 V\n0.131172 0.262342 0.579278 V\n0.239092 0.478185 0.396828 O\n0.760908 0.521815 0.603172 O\n0.760908 0.521815 0.896828 O\n0.239092 0.478185 0.103172 O\n0.929440 0.858881 0.250000 O\n0.070560 0.141119 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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"formula_full": "V4 O8",
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},
{
"id": "jvasp-44692",
"created_at": "2022-09-04T14:38:09.416209Z",
"updated_at": "2022-09-04T14:38:09.416228Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.031890 0.112825 0.016736\n-0.072343 5.508445 -0.007747\n0.000452 -0.037596 6.371487\nLi Mn Fe O\n4 1 3 8\ndirect\n0.990986 0.916315 0.377128 Li\n0.500199 0.578690 0.875236 Li\n0.993454 0.421162 0.124101 Li\n0.499121 0.086023 0.623537 Li\n0.497449 0.083619 0.126778 Mn\n-0.000286 0.916674 0.875551 Fe\n0.498538 0.582776 0.370957 Fe\n0.998937 0.416818 0.625628 Fe\n0.372470 0.927768 0.892557 O\n0.391232 0.911833 0.354523 O\n0.887067 0.586547 0.872855 O\n0.881751 0.579629 0.380365 O\n0.377737 0.424162 0.619830 O\n0.392954 0.401621 0.133404 O\n0.887133 0.087533 0.630504 O\n0.857660 0.078827 0.117051 O\n",
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{
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"created_at": "2022-09-04T14:36:01.915665Z",
"updated_at": "2022-09-04T14:36:01.915691Z",
"structure_string": "Ti2 Be4\n1.0\n3.933225 -0.000000 2.270848\n1.311075 3.708280 2.270848\n0.000000 0.000000 4.541697\nTi Be\n2 4\ndirect\n0.875002 0.875000 0.875000 Ti\n0.125000 0.125000 0.125000 Ti\n0.500001 0.500000 0.500000 Be\n0.500001 0.500000 -0.000000 Be\n0.000001 0.500000 0.500000 Be\n0.500001 -0.000000 0.500000 Be\n",
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{
"id": "jvasp-70479",
"created_at": "2022-09-04T14:36:18.779087Z",
"updated_at": "2022-09-04T14:36:18.779114Z",
"structure_string": "Be2 Tc1 Rh1\n1.0\n2.753258 0.000000 0.000000\n0.000000 2.753258 0.000000\n0.000000 0.000000 5.825529\nBe Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.775481 Be\n0.000000 0.000000 0.224519 Be\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 Rh\n",
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{
"id": "jvasp-69460",
"created_at": "2022-09-04T14:35:54.035964Z",
"updated_at": "2022-09-04T14:35:54.035990Z",
"structure_string": "Be2 Tc1 Rh1\n1.0\n2.753281 0.000000 0.000000\n0.000000 2.753281 -0.000000\n0.000000 -0.000000 5.825065\nBe Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.775471 Be\n0.000000 0.000000 0.224528 Be\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 Rh\n",
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{
"id": "jvasp-46241",
"created_at": "2022-09-04T14:38:05.265594Z",
"updated_at": "2022-09-04T14:38:05.265621Z",
"structure_string": "Li12 Cr2 O12\n1.0\n5.566580 -0.000393 0.001930\n-2.782928 4.850390 0.015571\n-0.003788 -0.159589 10.630100\nLi Cr O\n12 2 12\ndirect\n0.394016 0.376971 0.724012 Li\n0.388459 0.380732 0.150632 Li\n0.982965 0.376972 0.224008 Li\n0.713295 0.703341 0.260183 Li\n0.992277 0.380729 0.650631 Li\n0.327354 0.653684 0.409485 Li\n0.673971 0.318720 0.909053 Li\n0.326339 0.653677 0.909481 Li\n0.644760 0.318730 0.409049 Li\n0.581761 0.974207 0.713962 Li\n0.990053 0.703336 0.760184 Li\n0.392452 0.974208 0.213960 Li\n-0.002677 -0.003049 0.005059 Cr\n-0.000365 -0.003045 0.505061 Cr\n0.286393 0.283145 0.958582 O\n0.996751 0.283144 0.458584 O\n0.716984 0.714025 0.453248 O\n0.348293 0.641383 0.236227 O\n0.690887 0.338992 0.735475 O\n0.019289 0.013248 0.162918 O\n-0.006036 0.013246 0.662920 O\n0.293099 0.641384 0.736224 O\n0.648117 0.338992 0.235469 O\n0.709946 0.992396 0.958581 O\n-0.002948 0.714022 0.953247 O\n0.282457 0.992408 0.458584 O\n",
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],
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"formula_full": "Li12 Cr2 O12",
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"formula_anonymous": "AB6C6",
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"spacegroup": 9
}
]
}