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{
"id": "jvasp-13036",
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"updated_at": "2022-09-04T14:36:52.502641Z",
"structure_string": "Sn4 O2 F10\n1.0\n5.406661 0.009423 -1.860374\n-2.155148 5.224994 -0.864775\n-0.046349 -0.011466 8.252104\nSn O F\n4 2 10\ndirect\n0.499999 0.499999 -0.000000 Sn\n-0.000001 0.499999 0.499999 Sn\n0.293367 0.028637 0.322005 Sn\n0.706631 0.971361 0.677994 Sn\n0.694580 0.194580 0.500000 O\n0.305418 0.805418 0.499999 O\n0.340853 0.799588 0.140442 F\n0.659145 0.200410 0.859557 F\n0.771396 0.721855 0.493252 F\n0.228603 0.278143 0.506747 F\n0.158239 0.606228 0.764468 F\n0.841759 0.393770 0.235531 F\n0.682070 0.697409 0.800356 F\n0.897053 0.881713 0.199643 F\n0.317929 0.302589 0.199643 F\n0.102946 0.118285 0.800356 F\n",
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{
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"structure_string": "Zr6 N4 O6\n1.0\n-4.029733 -0.005980 0.000291\n2.006661 5.373372 0.004674\n-0.000425 -0.102212 -10.754028\nZr N O\n6 4 6\ndirect\n0.179729 0.362464 0.248034 Zr\n0.140457 0.283945 0.939376 Zr\n0.134639 0.272201 0.555863 Zr\n0.805734 0.614485 0.748727 Zr\n0.853441 0.709952 0.056093 Zr\n0.861099 0.725193 0.439217 Zr\n0.294537 0.592115 0.078129 N\n0.043797 0.090333 0.384618 N\n0.702734 0.408422 0.574206 N\n0.698851 0.400740 0.919055 N\n0.305991 0.614972 0.419208 O\n0.243975 0.490953 0.750793 O\n0.041563 0.086250 0.112070 O\n0.751156 0.505326 0.255978 O\n0.952458 0.907999 0.884231 O\n0.954976 0.913031 0.619214 O\n",
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{
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"created_at": "2022-09-04T14:36:16.547132Z",
"updated_at": "2022-09-04T14:36:16.547153Z",
"structure_string": "Ba4 Si1 Mo1\n1.0\n0.000000 4.882071 4.882071\n4.882071 0.000000 4.882071\n4.882071 4.882071 0.000000\nBa Si Mo\n4 1 1\ndirect\n0.122752 0.625750 0.625750 Ba\n0.625750 0.625750 0.625750 Ba\n0.625750 0.122752 0.625750 Ba\n0.625750 0.625750 0.122752 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Mo\n",
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"density_atomic": 0.025781547487957586,
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"volume_molar": 23.358337054100062,
"formula_full": "Ba4 Si1 Mo1",
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{
"id": "jvasp-12373",
"created_at": "2022-09-04T14:38:13.413242Z",
"updated_at": "2022-09-04T14:38:13.413269Z",
"structure_string": "Cr4 Co2 S8\n1.0\n5.979248 -0.000000 3.452121\n1.993083 5.637290 3.452121\n-0.000000 -0.000000 6.904241\nCr Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875000 Co\n0.732788 0.255737 0.255737 S\n0.267212 0.744263 0.744263 S\n0.744262 0.744263 0.744263 S\n0.255737 0.255737 0.732788 S\n0.744263 0.267212 0.744262 S\n0.255737 0.732788 0.255737 S\n0.744262 0.744263 0.267212 S\n0.255737 0.255737 0.255737 S\n",
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{
"id": "jvasp-14006",
"created_at": "2022-09-04T14:38:05.113768Z",
"updated_at": "2022-09-04T14:38:05.113787Z",
"structure_string": "Li4 Nd2 Sb4\n1.0\n4.610315 0.000000 -0.000000\n0.000000 4.610315 0.000000\n-0.000000 -0.000000 10.948612\nLi Nd Sb\n4 2 4\ndirect\n0.500001 0.000000 0.377451 Li\n0.000000 0.500001 0.622548 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.731688 Nd\n0.000000 0.500001 0.268311 Nd\n0.000000 0.500001 0.853745 Sb\n0.500001 0.000000 0.146255 Sb\n0.500001 0.500001 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"volume": 232.71279622540766,
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"formula_full": "Li4 Nd2 Sb4",
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{
"id": "jvasp-9580",
"created_at": "2022-09-04T14:38:16.632891Z",
"updated_at": "2022-09-04T14:38:16.632901Z",
"structure_string": "Ga3 P3 O12\n1.0\n2.454006 -4.250462 -0.000000\n2.454006 4.250462 0.000000\n0.000000 0.000000 11.155161\nGa P O\n3 3 12\ndirect\n0.546761 0.546761 0.000000 Ga\n0.000001 0.453240 0.666667 Ga\n0.453240 0.000001 0.333333 Ga\n0.547647 0.547647 0.500000 P\n0.000001 0.452354 0.166667 P\n0.452354 0.000001 0.833333 P\n0.082147 0.675187 0.275425 O\n0.917855 0.593042 0.057908 O\n0.675187 0.082147 0.724575 O\n0.406960 0.324814 0.391242 O\n0.405116 0.277167 0.869844 O\n0.127950 0.722835 0.796822 O\n0.872052 0.594886 0.536511 O\n0.593042 0.917855 0.942092 O\n0.594886 0.872052 0.463489 O\n0.277167 0.405116 0.130156 O\n0.722835 0.127950 0.203178 O\n0.324814 0.406960 0.608758 O\n",
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"volume": 232.71136655700204,
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"formula_full": "Ga3 P3 O12",
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{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
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"formula_full": "Sb6 Pb2",
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"spacegroup": 194
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{
"id": "jvasp-100765",
"created_at": "2022-09-04T14:36:41.778398Z",
"updated_at": "2022-09-04T14:36:41.778418Z",
"structure_string": "Y6 Bi2\n1.0\n6.908728 -0.000000 0.000000\n-3.454364 5.983135 0.000000\n-0.000000 -0.000000 5.629066\nY Bi\n6 2\ndirect\n0.168374 0.336746 0.250000 Y\n0.663254 0.831626 0.250000 Y\n0.168374 0.831626 0.250000 Y\n0.831627 0.663253 0.750001 Y\n0.336746 0.168373 0.750001 Y\n0.831627 0.168373 0.750001 Y\n0.333333 0.666666 0.750001 Bi\n0.666667 0.333333 0.250000 Bi\n",
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{
"id": "jvasp-30322",
"created_at": "2022-09-04T14:37:59.258194Z",
"updated_at": "2022-09-04T14:37:59.258211Z",
"structure_string": "Mn2 P4 O14\n1.0\n4.956428 0.102701 -0.138757\n-1.617272 6.001792 -0.126459\n-1.092843 -3.667994 7.912175\nMn P O\n2 4 14\ndirect\n0.078167 0.594018 0.364367 Mn\n0.921834 0.405982 0.635633 Mn\n0.244104 0.127151 0.363337 P\n0.605195 0.691928 0.879311 P\n0.394806 0.308072 0.120689 P\n0.755897 0.872850 0.636663 P\n0.693314 0.456702 0.252687 O\n0.810501 0.532579 0.830916 O\n0.627237 0.802992 0.063663 O\n0.538626 0.243491 0.493187 O\n0.268638 0.091497 0.179588 O\n0.731363 0.908503 0.820413 O\n0.189501 0.467421 0.169084 O\n0.372765 0.197009 0.936337 O\n0.942794 0.694845 0.587917 O\n0.306687 0.543299 0.747313 O\n0.057208 0.305155 0.412083 O\n0.066611 0.880977 0.348148 O\n0.461376 0.756510 0.506813 O\n0.933390 0.119024 0.651852 O\n",
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{
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"created_at": "2022-09-04T14:36:14.136238Z",
"updated_at": "2022-09-04T14:36:14.136258Z",
"structure_string": "Tb4 Mn4 B16\n1.0\n3.440373 0.000000 0.000000\n0.000000 5.913978 -0.000000\n0.000000 0.000000 11.434781\nTb Mn B\n4 4 16\ndirect\n0.000000 0.125394 0.849463 Tb\n0.000000 0.874607 0.150537 Tb\n0.000000 0.374606 0.349463 Tb\n0.000000 0.625394 0.650537 Tb\n0.000000 0.126805 0.583394 Mn\n0.000000 0.873195 0.416606 Mn\n0.000000 0.373195 0.083394 Mn\n0.000000 0.626805 0.916606 Mn\n0.500000 0.525062 0.190428 B\n0.500000 0.474938 0.809572 B\n0.500000 0.888107 0.546115 B\n0.500000 0.111894 0.453885 B\n0.500000 0.611894 0.046115 B\n0.500000 0.388107 0.953885 B\n0.500000 0.861053 0.967781 B\n0.500000 0.780087 0.816665 B\n0.500000 0.638947 0.467782 B\n0.500000 0.361053 0.532218 B\n0.500000 0.025062 0.309572 B\n0.500000 0.219913 0.183334 B\n0.500000 0.719913 0.316666 B\n0.500000 0.280087 0.683334 B\n0.500000 0.138947 0.032218 B\n0.500000 0.974938 0.690428 B\n",
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{
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"structure_string": "Sn2 Pb2 S4\n1.0\n0.000000 3.180053 0.000000\n0.000000 0.000000 3.841111\n19.046626 0.000000 0.000000\nSn Pb S\n2 2 4\ndirect\n0.500000 0.000218 0.412612 Sn\n0.500000 -0.000218 0.912612 Sn\n0.500000 0.500554 0.584744 Pb\n0.500000 0.499445 0.084744 Pb\n0.500000 0.500205 0.325520 S\n0.500000 0.499795 0.825520 S\n0.500000 0.000536 0.677624 S\n0.500000 -0.000536 0.177624 S\n",
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{
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"updated_at": "2022-09-04T14:36:04.954046Z",
"structure_string": "Te2 W2 S2\n1.0\n3.368943 0.000003 0.000003\n-1.684470 2.917595 -0.000015\n0.000021 -0.000108 23.669498\nTe W S\n2 2 2\ndirect\n0.333355 0.666715 0.531314 Te\n0.333352 0.666707 0.370738 Te\n0.333313 0.666625 0.150869 W\n0.666687 0.333375 0.450998 W\n0.666642 0.333284 0.086705 S\n0.666646 0.333295 0.214982 S\n",
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}
]
}