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{
"id": "jvasp-10969",
"created_at": "2022-09-04T14:37:12.043369Z",
"updated_at": "2022-09-04T14:37:12.043388Z",
"structure_string": "K2 Th2 Cu2 S6\n1.0\n4.085172 0.000000 0.000000\n-2.042586 6.850014 -0.000000\n0.000000 0.000000 10.569499\nK Th Cu S\n2 2 2 6\ndirect\n0.744033 0.488067 0.250000 K\n0.255965 0.511932 0.750000 K\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.466742 0.933486 0.250000 Cu\n0.533256 0.066513 0.750000 Cu\n0.629415 0.258831 0.932799 S\n0.370583 0.741168 0.067201 S\n0.933667 0.867337 0.750000 S\n0.066331 0.132662 0.250000 S\n0.370583 0.741168 0.432799 S\n0.629415 0.258831 0.567201 S\n",
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{
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"structure_string": "Cu2 Se2 O8\n1.0\n4.892506 0.196590 0.000000\n-1.909757 4.508668 0.000000\n0.000000 0.000000 6.517556\nCu Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.647697 0.352303 0.250000 Se\n0.352303 0.647697 0.750001 Se\n0.757039 0.242962 0.467392 O\n0.242961 0.757039 0.532609 O\n0.228257 0.275053 0.750001 O\n0.771743 0.724947 0.250000 O\n0.757039 0.242962 0.032608 O\n0.242961 0.757039 0.967392 O\n0.724947 0.771743 0.750001 O\n0.275053 0.228257 0.250000 O\n",
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{
"id": "jvasp-30480",
"created_at": "2022-09-04T14:37:12.291536Z",
"updated_at": "2022-09-04T14:37:12.291563Z",
"structure_string": "Nd4 Mg2\n1.0\n3.815698 -0.000000 0.000000\n1.907850 8.720120 0.000000\n0.000000 0.000000 5.616354\nNd Mg\n4 2\ndirect\n0.976568 0.046864 0.000000 Nd\n0.660500 0.679001 0.000000 Nd\n0.801211 0.397581 0.500000 Nd\n0.117277 0.765445 0.500000 Nd\n0.319821 0.360355 0.000000 Mg\n0.457955 0.084089 0.500000 Mg\n",
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"spacegroup": 63
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{
"id": "jvasp-30768",
"created_at": "2022-09-04T14:37:12.877075Z",
"updated_at": "2022-09-04T14:37:12.877099Z",
"structure_string": "Mo4 O10\n1.0\n11.905961 0.000000 0.000000\n0.000000 5.021031 -1.909114\n0.000000 -0.000000 3.818229\nMo O\n4 10\ndirect\n0.149430 0.882177 0.941089 Mo\n0.350570 0.117823 0.558913 Mo\n0.649429 0.117823 0.558913 Mo\n0.850570 0.882177 0.941089 Mo\n0.000000 -0.000737 -0.000367 O\n0.134267 0.549728 0.774865 O\n0.186012 0.978029 0.489015 O\n0.313988 0.021969 0.010985 O\n0.365733 0.450272 0.725137 O\n0.500000 0.000737 0.500367 O\n0.634267 0.450272 0.725137 O\n0.865733 0.549728 0.774865 O\n0.686012 0.021969 0.010985 O\n0.813988 0.978029 0.489015 O\n",
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"volume": 228.2544904624219,
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{
"id": "jvasp-30515",
"created_at": "2022-09-04T14:37:12.918203Z",
"updated_at": "2022-09-04T14:37:12.918243Z",
"structure_string": "K2 Ag2 O4\n1.0\n1.372063 3.816990 -0.000000\n0.000000 -0.000000 5.977440\n6.440281 -0.159939 0.000000\nK Ag O\n2 2 4\ndirect\n0.289195 0.250000 0.421610 K\n0.710805 0.750000 0.578389 K\n0.003331 0.250000 0.993337 Ag\n0.996668 0.750000 0.006663 Ag\n0.110778 0.993481 0.778444 O\n0.889222 0.493481 0.221555 O\n0.110778 0.506519 0.778444 O\n0.889222 0.006519 0.221555 O\n",
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"formula_full": "K2 Ag2 O4",
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{
"id": "jvasp-24635",
"created_at": "2022-09-04T14:37:13.034431Z",
"updated_at": "2022-09-04T14:37:13.034464Z",
"structure_string": "Zr6 Al2 N2\n1.0\n3.377005 0.000000 0.000000\n-1.688502 5.793799 0.000000\n-0.000000 -0.000000 9.010249\nZr Al N\n6 2 2\ndirect\n0.044730 0.089459 0.750000 Zr\n0.955273 0.910541 0.250000 Zr\n0.373250 0.746498 0.542816 Zr\n0.626753 0.253502 0.457184 Zr\n0.626753 0.253502 0.042816 Zr\n0.373250 0.746498 0.957184 Zr\n0.253490 0.506979 0.250000 Al\n0.746512 0.493021 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-42385",
"created_at": "2022-09-04T14:37:13.116490Z",
"updated_at": "2022-09-04T14:37:13.116506Z",
"structure_string": "Li4 Fe2 F8\n1.0\n2.810286 0.000000 -0.000000\n-1.405144 4.780797 -0.000000\n-0.000000 0.000000 9.801758\nLi Fe F\n4 2 8\ndirect\n0.376259 0.752515 0.063144 Li\n0.376259 0.752515 0.436856 Li\n0.623744 0.247485 0.563144 Li\n0.623744 0.247485 0.936856 Li\n0.124286 0.248571 0.250000 Fe\n0.875717 0.751429 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.464024 0.928044 0.250000 F\n0.273648 0.547293 0.618543 F\n0.273648 0.547293 0.881457 F\n0.535979 0.071956 0.750000 F\n0.726355 0.452707 0.118543 F\n0.726355 0.452707 0.381457 F\n",
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"volume": 131.69060684912301,
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{
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"created_at": "2022-09-04T14:37:13.047020Z",
"updated_at": "2022-09-04T14:37:13.047059Z",
"structure_string": "Zr2 Pt2\n1.0\n-3.470388 0.000000 0.000000\n-0.000000 -0.000000 -4.291826\n1.735193 -5.204848 -0.000000\nZr Pt\n2 2\ndirect\n0.858632 0.750001 0.717261 Zr\n0.141370 0.250000 0.282739 Zr\n0.593091 0.750001 0.186181 Pt\n0.406911 0.250000 0.813819 Pt\n",
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{
"id": "jvasp-9953",
"created_at": "2022-09-04T14:37:17.339053Z",
"updated_at": "2022-09-04T14:37:17.339084Z",
"structure_string": "Co4 O8\n1.0\n2.769779 0.000000 0.000000\n-1.384891 4.535004 -0.000000\n-0.000000 -0.000000 9.227363\nCo O\n4 8\ndirect\n0.865879 0.731759 0.074773 Co\n0.134121 0.268240 0.925227 Co\n0.865879 0.731759 0.425227 Co\n0.134121 0.268240 0.574772 Co\n0.235166 0.470330 0.391288 O\n0.764834 0.529669 0.608711 O\n0.764834 0.529669 0.891288 O\n0.235166 0.470330 0.108711 O\n0.944651 0.889300 0.250000 O\n0.055349 0.110699 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
"id": "jvasp-34647",
"created_at": "2022-09-04T14:37:14.157048Z",
"updated_at": "2022-09-04T14:37:14.157068Z",
"structure_string": "Mg2 Al4 O8\n1.0\n2.798040 0.000000 0.000000\n-1.399020 4.624381 0.000000\n0.000000 0.000000 9.445809\nMg Al O\n2 4 8\ndirect\n0.611660 0.223319 0.250000 Mg\n0.388340 0.776681 0.750000 Mg\n0.134187 0.268373 0.926726 Al\n0.865813 0.731626 0.426726 Al\n0.865813 0.731626 0.073274 Al\n0.134187 0.268373 0.573274 Al\n0.769972 0.539943 0.889811 O\n0.769972 0.539943 0.610189 O\n0.230028 0.460056 0.389811 O\n0.047518 0.095035 0.750000 O\n0.230028 0.460056 0.110189 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.952482 0.904965 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:13.191307Z",
"updated_at": "2022-09-04T14:37:13.191325Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n3.342593 0.000000 0.000000\n-1.671296 5.694930 0.000000\n0.000000 -0.000000 11.110044\nZn Bi O\n2 4 8\ndirect\n0.400753 0.801508 0.750000 Zn\n0.599245 0.198492 0.250000 Zn\n0.867070 0.734144 0.076270 Bi\n0.132928 0.265856 0.923730 Bi\n0.867070 0.734144 0.423730 Bi\n0.132928 0.265856 0.576270 Bi\n0.222148 0.444298 0.385346 O\n0.777850 0.555702 0.614653 O\n0.777850 0.555702 0.885346 O\n0.222148 0.444298 0.114654 O\n0.005418 0.010837 0.250000 O\n0.994580 0.989163 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "jvasp-50445",
"created_at": "2022-09-04T14:37:13.249723Z",
"updated_at": "2022-09-04T14:37:13.249748Z",
"structure_string": "Li8 Zr2 O8\n1.0\n4.094858 3.646904 0.000000\n-4.094858 3.646904 0.000000\n0.000000 -0.000000 6.429900\nLi Zr O\n8 2 8\ndirect\n0.156135 0.843864 0.000000 Li\n0.156135 0.843864 0.500000 Li\n0.602601 0.887626 0.250000 Li\n0.112372 0.397398 0.750000 Li\n0.887626 0.602601 0.250000 Li\n0.397398 0.112372 0.750000 Li\n0.843864 0.156135 0.000000 Li\n0.843864 0.156135 0.500000 Li\n0.348802 0.348802 0.250000 Zr\n0.651197 0.651197 0.750000 Zr\n0.272815 0.696750 0.250000 O\n0.303249 0.727184 0.750000 O\n0.204704 0.204704 0.511955 O\n0.204704 0.204704 0.988045 O\n0.795295 0.795295 0.011955 O\n0.795295 0.795295 0.488045 O\n0.696750 0.272815 0.250000 O\n0.727184 0.303249 0.750000 O\n",
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}
]
}