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{
"id": "jvasp-56504",
"created_at": "2022-09-04T14:37:37.586033Z",
"updated_at": "2022-09-04T14:37:37.586052Z",
"structure_string": "Ta4 Co8\n1.0\n2.375500 -4.114488 0.000000\n2.375500 4.114488 -0.000000\n-0.000000 -0.000000 7.739787\nTa Co\n4 8\ndirect\n0.333333 0.666667 0.065385 Ta\n0.666667 0.333333 0.934615 Ta\n0.333333 0.666667 0.434615 Ta\n0.666667 0.333333 0.565386 Ta\n0.831946 0.663892 0.250000 Co\n0.831946 0.168054 0.250000 Co\n0.168054 0.336108 0.750000 Co\n0.663892 0.831946 0.750000 Co\n0.336108 0.168054 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.168054 0.831946 0.750000 Co\n0.000000 0.000000 0.500000 Co\n",
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{
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"updated_at": "2022-09-04T14:38:30.165424Z",
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"elements": [
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],
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"formula_full": "Li2 P4 W2 O14",
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{
"id": "jvasp-86927",
"created_at": "2022-09-04T14:36:18.647560Z",
"updated_at": "2022-09-04T14:36:18.647591Z",
"structure_string": "Na2 La2 Ti3 O10\n1.0\n3.828379 -0.000000 -0.510018\n-0.067945 3.827776 -0.510018\n0.000341 0.000347 14.626147\nNa La Ti O\n2 2 3 10\ndirect\n0.288724 0.288725 0.577448 Na\n0.711277 0.711277 0.422552 Na\n0.424854 0.424854 0.849707 La\n0.575148 0.575147 0.150293 La\n0.000000 0.000000 0.000000 Ti\n0.148220 0.148220 0.296439 Ti\n0.851781 0.851781 0.703561 Ti\n0.500000 0.000000 -0.000000 O\n0.866486 0.366487 0.732973 O\n0.000001 0.500000 -0.000000 O\n0.209314 0.209314 0.418628 O\n0.790688 0.790688 0.581372 O\n0.633515 0.133515 0.267027 O\n0.133515 0.633515 0.267028 O\n0.366487 0.866487 0.732973 O\n0.067506 0.067506 0.135011 O\n0.932496 0.932496 0.864989 O\n",
"nsites": 17,
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"density_atomic": 0.07931490362914959,
"volume": 214.33550596602137,
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"formula_full": "Na2 La2 Ti3 O10",
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"formula_anonymous": "A2B2C3D10",
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{
"id": "jvasp-40661",
"created_at": "2022-09-04T14:38:01.022850Z",
"updated_at": "2022-09-04T14:38:01.022877Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.068959 0.000000 0.000000\n0.000000 6.808511 0.000000\n0.000000 0.000000 10.228955\nLi Mn P O\n4 4 4 16\ndirect\n0.753626 0.504170 0.155313 Li\n0.253626 0.004170 0.344688 Li\n0.753626 0.995830 0.655313 Li\n0.253626 0.495830 0.844688 Li\n0.756196 0.004424 0.155944 Mn\n0.256196 0.504424 0.344056 Mn\n0.756196 0.495576 0.655944 Mn\n0.256196 0.995576 0.844056 Mn\n0.749806 0.742792 0.905964 P\n0.249805 0.242792 0.594036 P\n0.749806 0.757208 0.405964 P\n0.249805 0.257208 0.094036 P\n0.878114 0.559037 0.843346 O\n0.860225 0.932681 0.840392 O\n0.360225 0.432681 0.659609 O\n0.378114 0.059037 0.656654 O\n0.947549 0.237482 0.620144 O\n0.808635 0.752821 0.554590 O\n0.308635 0.247179 0.445410 O\n0.947549 0.262518 0.120144 O\n0.878114 0.940963 0.343346 O\n0.860225 0.567319 0.340392 O\n0.360225 0.067319 0.159609 O\n0.378114 0.440963 0.156654 O\n0.447549 0.737482 0.879857 O\n0.808635 0.747179 0.054590 O\n0.447549 0.762518 0.379857 O\n0.308635 0.252821 0.945410 O\n",
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"volume": 353.0223405098513,
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"formula_full": "Li4 Mn4 P4 O16",
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"spacegroup": 33
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{
"id": "jvasp-70061",
"created_at": "2022-09-04T14:35:48.659790Z",
"updated_at": "2022-09-04T14:35:48.659815Z",
"structure_string": "Mn1 Be2 Tl1\n1.0\n-1.753073 1.753073 4.102352\n1.753073 -1.753073 4.102352\n1.753073 1.753073 -4.102352\nMn Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Tl\n",
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"volume": 50.430458347182444,
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"formula_full": "Mn1 Be2 Tl1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-99589",
"created_at": "2022-09-04T14:36:34.227062Z",
"updated_at": "2022-09-04T14:36:34.227073Z",
"structure_string": "Dy1 Fe2 O4\n1.0\n3.427593 -0.006972 7.775074\n1.632149 3.014055 7.775074\n-0.011732 -0.006972 8.497060\nDy Fe O\n1 2 4\ndirect\n0.499999 0.500002 0.499999 Dy\n0.712466 0.712470 0.712466 Fe\n0.287532 0.287533 0.287532 Fe\n0.791344 0.791348 0.791344 O\n0.626714 0.626717 0.626714 O\n0.208654 0.208655 0.208654 O\n0.373284 0.373286 0.373284 O\n",
"nsites": 7,
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],
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"density": 6.363274173572928,
"density_atomic": 0.0793180262868305,
"volume": 88.25232204702802,
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"formula_full": "Dy1 Fe2 O4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-24984",
"created_at": "2022-09-04T14:38:18.996548Z",
"updated_at": "2022-09-04T14:38:18.996577Z",
"structure_string": "Na4 Cd2 S4 O16\n1.0\n6.167947 -0.001437 2.076695\n0.649808 6.133621 2.076695\n-0.023994 -0.021581 8.649573\nNa Cd S O\n4 2 4 16\ndirect\n0.307457 0.419377 0.436326 Na\n0.692545 0.580622 0.563674 Na\n0.580623 0.692544 0.063675 Na\n0.419378 0.307456 0.936326 Na\n0.933731 0.066269 0.250000 Cd\n0.066270 0.933731 0.750000 Cd\n0.977054 0.403805 0.811015 S\n0.596195 0.022947 0.688986 S\n0.403806 0.977053 0.311015 S\n0.022947 0.596195 0.188986 S\n0.049780 0.228477 0.946739 O\n0.995915 0.687139 0.334403 O\n0.122764 0.580016 0.748566 O\n0.312861 0.004086 0.165598 O\n0.877238 0.419983 0.251435 O\n0.004087 0.312860 0.665597 O\n0.512389 0.254607 0.632965 O\n0.687141 0.995913 0.834403 O\n0.254607 0.512388 0.132965 O\n0.950221 0.771523 0.053261 O\n0.419985 0.877237 0.751435 O\n0.745394 0.487612 0.867036 O\n0.771524 0.950220 0.553261 O\n0.580017 0.122763 0.248566 O\n0.487613 0.745393 0.367036 O\n0.228477 0.049780 0.446740 O\n",
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"formula_full": "Na4 Cd2 S4 O16",
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{
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"created_at": "2022-09-04T14:38:28.602072Z",
"updated_at": "2022-09-04T14:38:28.602107Z",
"structure_string": "Zn4 Bi2 Sb2 O12\n1.0\n0.000000 5.514823 0.004634\n8.172270 0.000000 0.000000\n0.000000 -0.205082 -5.594504\nZn Bi Sb O\n4 2 2 12\ndirect\n0.522230 0.750000 0.505692 Zn\n0.477770 0.250000 0.494308 Zn\n0.011163 0.750000 0.966931 Zn\n0.988837 0.250000 0.033069 Zn\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.361735 0.572563 0.308316 O\n0.863450 0.750000 0.633124 O\n0.638265 0.072563 0.691685 O\n0.614925 0.250000 0.137790 O\n0.819561 0.926374 0.125680 O\n0.180439 0.073626 0.874320 O\n0.819561 0.573626 0.125680 O\n0.361735 0.927437 0.308316 O\n0.385075 0.750000 0.862210 O\n0.638265 0.427437 0.691685 O\n0.180439 0.426374 0.874320 O\n0.136550 0.250000 0.366876 O\n",
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"formula_full": "Zn4 Bi2 Sb2 O12",
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"spacegroup": 11
},
{
"id": "jvasp-104767",
"created_at": "2022-09-04T14:37:01.198348Z",
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"structure_string": "Al2 Co1 Ru1\n1.0\n2.939410 -0.000000 0.000000\n0.000000 2.939410 0.000000\n0.000000 -0.000000 5.836107\nAl Co Ru\n2 1 1\ndirect\n0.000000 0.000000 0.757994 Al\n0.000000 0.000000 0.242007 Al\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.500000 Ru\n",
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{
"id": "jvasp-10720",
"created_at": "2022-09-04T14:37:58.176977Z",
"updated_at": "2022-09-04T14:37:58.177006Z",
"structure_string": "Li4 Er4 O8\n1.0\n0.000000 6.099003 -0.004658\n6.105373 0.000000 0.000000\n0.000000 -2.993663 -5.414380\nLi Er O\n4 4 8\ndirect\n0.708559 0.344384 0.935876 Li\n0.291441 0.844384 0.564124 Li\n0.291441 0.655615 0.064124 Li\n0.708559 0.155615 0.435876 Li\n0.766349 0.869217 0.021549 Er\n0.766349 0.630782 0.521549 Er\n0.233651 0.130782 0.978451 Er\n0.233651 0.369218 0.478451 Er\n0.012612 0.672037 0.343951 O\n0.545912 0.607739 0.738162 O\n0.987388 0.172037 0.156049 O\n0.987388 0.327963 0.656049 O\n0.454088 0.392260 0.261838 O\n0.454088 0.107740 0.761838 O\n0.545912 0.892260 0.238162 O\n0.012612 0.827963 0.843951 O\n",
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},
{
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"created_at": "2022-09-04T14:35:41.532693Z",
"updated_at": "2022-09-04T14:35:41.532724Z",
"structure_string": "Ce1 B2 Rh2 C1\n1.0\n3.629200 -0.000000 -1.286203\n-0.455835 3.600459 -1.286203\n0.006868 0.007792 5.782624\nCe B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.353432 0.353432 0.706865 B\n0.646567 0.646568 0.293135 B\n0.750000 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n0.499999 0.500000 0.000000 C\n",
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"spacegroup": 139
},
{
"id": "jvasp-101116",
"created_at": "2022-09-04T14:36:59.891655Z",
"updated_at": "2022-09-04T14:36:59.891680Z",
"structure_string": "Sr2 Ta1 Mn1 O6\n1.0\n4.874027 -0.000000 2.814021\n1.624676 4.595277 2.814021\n-0.000000 -0.000000 5.628041\nSr Ta Mn O\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.499999 Mn\n0.750218 0.750218 0.249782 O\n0.249783 0.750218 0.249782 O\n0.750218 0.249783 0.249782 O\n0.249783 0.249783 0.750217 O\n0.750218 0.249783 0.750216 O\n0.249783 0.750218 0.750216 O\n",
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"elements": [
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],
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"formula_full": "Sr2 Ta1 Mn1 O6",
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}
]
}