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{
"id": "jvasp-42960",
"created_at": "2022-09-04T14:37:27.086838Z",
"updated_at": "2022-09-04T14:37:27.086861Z",
"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
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{
"id": "jvasp-36190",
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"structure_string": "Ba1 Ga1 Si1 H1\n1.0\n2.154842 -3.732295 -0.000000\n2.154842 3.732295 0.000000\n0.000000 -0.000000 5.254763\nBa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001004 Ba\n0.666667 0.333332 0.457940 Ga\n0.333332 0.666667 0.545887 Si\n0.666667 0.333332 0.121469 H\n",
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"formula_full": "Ba1 Ga1 Si1 H1",
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{
"id": "jvasp-36001",
"created_at": "2022-09-04T14:37:13.459679Z",
"updated_at": "2022-09-04T14:37:13.459715Z",
"structure_string": "Na1 Li1 I1 Cl1\n1.0\n4.051373 0.000000 0.000000\n0.000000 4.051373 -0.000000\n-0.000000 0.000000 6.098731\nNa Li I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
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"volume": 100.10227254146496,
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"formula_full": "Na1 Li1 I1 Cl1",
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"spacegroup": 123
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{
"id": "jvasp-11187",
"created_at": "2022-09-04T14:37:12.132641Z",
"updated_at": "2022-09-04T14:37:12.132672Z",
"structure_string": "Rb4 Li2 As2 O8\n1.0\n5.832300 0.000000 -0.000000\n-2.916150 5.862124 -0.000000\n0.000000 -0.000000 7.909902\nRb Li As O\n4 2 2 8\ndirect\n0.057660 0.115320 0.848446 Rb\n0.942339 0.884680 0.348446 Rb\n0.603508 0.207016 0.498117 Rb\n0.396492 0.792983 0.998117 Rb\n0.796641 0.593280 0.768818 Li\n0.203359 0.406719 0.268818 Li\n0.688936 0.377871 0.055814 As\n0.311064 0.622128 0.555814 As\n0.402332 0.284393 0.161666 O\n0.597667 0.715606 0.661666 O\n0.633273 0.266547 0.852873 O\n0.366727 0.733452 0.352873 O\n0.882060 0.284393 0.161666 O\n0.117940 0.715606 0.661666 O\n0.164843 0.329686 0.523500 O\n0.835157 0.670314 0.023500 O\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.05916352261488318,
"volume": 270.4369059318831,
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"formula_full": "Rb4 Li2 As2 O8",
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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.09928588009424547,
"volume": 141.00695876101148,
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"formula_full": "K1 Li6 Ta1 O6",
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{
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"created_at": "2022-09-04T14:37:06.854825Z",
"updated_at": "2022-09-04T14:37:06.854850Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.309122 -0.012443 3.026823\n1.752718 5.011479 3.026823\n-0.017576 -0.012443 6.111311\nBa Pr Sb O\n2 1 1 6\ndirect\n0.748770 0.748772 0.748770 Ba\n0.251229 0.251230 0.251229 Ba\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500001 0.499999 Sb\n0.685859 0.271989 0.775750 O\n0.271988 0.775751 0.685859 O\n0.775750 0.685861 0.271988 O\n0.314140 0.728012 0.224249 O\n0.224249 0.314140 0.728011 O\n0.728011 0.224250 0.314139 O\n",
"nsites": 10,
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"density_atomic": 0.061298766998266196,
"volume": 163.13541837281727,
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"formula_full": "Ba2 Pr1 Sb1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 148
},
{
"id": "jvasp-108908",
"created_at": "2022-09-04T14:37:27.007396Z",
"updated_at": "2022-09-04T14:37:27.007417Z",
"structure_string": "Sr2 Pr1 Ta1 O6\n1.0\n5.267019 -0.000000 3.040915\n1.755673 4.965793 3.040915\n-0.000000 -0.000000 6.081830\nSr Pr Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.500000 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ta\n0.768562 0.231438 0.231438 O\n0.231438 0.768561 0.768561 O\n0.231438 0.768561 0.231438 O\n0.768562 0.231438 0.768561 O\n0.231438 0.231438 0.768561 O\n0.768561 0.768561 0.231437 O\n",
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{
"id": "jvasp-42982",
"created_at": "2022-09-04T14:37:26.994469Z",
"updated_at": "2022-09-04T14:37:26.994480Z",
"structure_string": "Li4 Mn4 Fe2 O12\n1.0\n4.872842 0.018773 -0.000000\n-2.432547 4.222280 0.000000\n0.000000 0.000000 10.010598\nLi Mn Fe O\n4 4 2 12\ndirect\n0.160020 0.660021 0.750000 Li\n0.339979 0.839979 0.250000 Li\n0.660020 0.160020 0.750000 Li\n0.839979 0.339979 0.250000 Li\n0.162568 0.837431 0.500000 Mn\n0.337431 0.662568 0.000000 Mn\n0.662568 0.337431 0.000000 Mn\n0.837431 0.162568 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n0.503162 0.162070 0.393495 O\n0.834027 0.834027 0.396607 O\n0.337928 0.996837 0.893495 O\n0.665971 0.665972 0.896606 O\n0.334028 0.334028 0.103393 O\n0.003162 0.662071 0.106505 O\n0.496836 0.837929 0.606505 O\n0.162071 0.503163 0.393495 O\n0.996836 0.337928 0.893495 O\n0.837928 0.496837 0.606505 O\n0.165972 0.165972 0.603394 O\n0.662070 0.003162 0.106505 O\n",
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"formula_full": "Li4 Mn4 Fe2 O12",
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{
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"created_at": "2022-09-04T14:37:26.965956Z",
"updated_at": "2022-09-04T14:37:26.965974Z",
"structure_string": "Li2 Cu4 P2 O8\n1.0\n0.000000 5.183974 -0.057542\n5.321998 0.000000 0.000000\n0.000000 -5.074470 -6.221246\nLi Cu P O\n2 4 2 8\ndirect\n0.997746 0.179888 0.999290 Li\n0.997746 0.820112 0.499290 Li\n0.450469 0.839515 0.978722 Cu\n0.268933 0.267060 0.753570 Cu\n0.450468 0.160486 0.478722 Cu\n0.268933 0.732941 0.253570 Cu\n0.737245 0.665011 0.747211 P\n0.737244 0.334989 0.247211 P\n0.022339 0.818237 0.947941 O\n0.844121 0.390470 0.758062 O\n0.425222 0.677946 0.732458 O\n0.671261 0.797698 0.549518 O\n0.022339 0.181763 0.447940 O\n0.844121 0.609530 0.258062 O\n0.425221 0.322055 0.232457 O\n0.671261 0.202303 0.049518 O\n",
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{
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"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
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"created_at": "2022-09-04T14:37:28.291767Z",
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{
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"updated_at": "2022-09-04T14:37:33.696215Z",
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}
]
}