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{
"id": "jvasp-102357",
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"structure_string": "Na2 Al1 Cu1 F6\n1.0\n4.861213 -0.000000 2.806623\n1.620404 4.583196 2.806623\n-0.000000 -0.000000 5.613245\nNa Al Cu F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 Cu\n0.771911 0.228088 0.228088 F\n0.228087 0.228088 0.771913 F\n0.228087 0.771913 0.771913 F\n0.228087 0.771913 0.228088 F\n0.771911 0.228088 0.771913 F\n0.771911 0.771913 0.228088 F\n",
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{
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"updated_at": "2022-09-04T14:36:31.081851Z",
"structure_string": "Li3 V4 Fe1 O12\n1.0\n6.652319 -0.321500 -0.098536\n-1.028080 6.580257 0.098536\n-1.525956 1.371254 5.468440\nLi V Fe O\n3 4 1 12\ndirect\n0.083353 0.083353 0.750000 Li\n0.282306 0.282307 0.250000 Li\n0.726195 0.726195 0.750000 Li\n0.188849 0.619822 0.759536 V\n0.381237 0.805156 0.263357 V\n0.619821 0.188849 0.740464 V\n0.805155 0.381237 0.236643 V\n0.922473 0.922473 0.250000 Fe\n0.791032 0.001458 0.856976 O\n0.606264 0.313655 0.418146 O\n0.637407 0.912803 0.281168 O\n0.680064 0.389060 0.915903 O\n0.313655 0.606265 0.081854 O\n0.069754 0.375902 0.754918 O\n0.389060 0.680065 0.584097 O\n0.216083 0.997125 0.176404 O\n0.912803 0.637407 0.218832 O\n0.001458 0.791032 0.643024 O\n0.375902 0.069754 0.745082 O\n0.997125 0.216083 0.323596 O\n",
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{
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"created_at": "2022-09-04T14:37:54.987906Z",
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"structure_string": "Al4 H4 O8\n1.0\n2.874277 -0.000000 0.000000\n0.000000 4.920564 0.000000\n0.000000 0.000000 8.470826\nAl H O\n4 4 8\ndirect\n0.250000 0.387499 0.647164 Al\n0.250000 0.112500 0.147164 Al\n0.750001 0.612500 0.352837 Al\n0.750001 0.887499 0.852837 Al\n0.750001 0.366669 0.923083 H\n0.750001 0.133331 0.423082 H\n0.250000 0.633330 0.076918 H\n0.250000 0.866669 0.576918 H\n0.750001 0.209471 0.000826 O\n0.750001 0.290529 0.500826 O\n0.250000 0.790528 0.999175 O\n0.250000 0.709470 0.499174 O\n0.750001 0.958543 0.260656 O\n0.750001 0.541455 0.760656 O\n0.250000 0.041456 0.739345 O\n0.250000 0.458544 0.239345 O\n",
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{
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"created_at": "2022-09-04T14:38:05.504659Z",
"updated_at": "2022-09-04T14:38:05.504676Z",
"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.459445 -0.177079 0.072771\n-1.173498 6.203201 -0.252591\n-0.833656 -1.925991 6.258242\nLi Mn O F\n4 3 1 11\ndirect\n0.160177 0.558331 0.340467 Li\n0.371159 0.622925 0.886992 Li\n0.610955 0.361398 0.100238 Li\n0.844455 0.449448 0.649370 Li\n0.715621 0.870559 0.414314 Mn\n-0.003322 -0.002834 0.019787 Mn\n0.286208 0.135740 0.552710 Mn\n0.017271 0.961536 0.311740 O\n0.639620 0.156001 0.424506 F\n0.335726 0.129100 0.085082 F\n0.813087 0.606362 0.442880 F\n0.547733 0.351139 0.798928 F\n0.400258 0.854204 0.554044 F\n0.187886 0.417010 0.565329 F\n0.657216 0.863541 -0.060801 F\n0.934714 0.291854 0.119458 F\n0.051931 0.703820 0.895843 F\n0.434421 0.610630 0.172922 F\n0.994863 0.059232 0.726185 F\n",
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"formula_full": "Li4 Mn3 O1 F11",
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{
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"created_at": "2022-09-04T14:38:01.163131Z",
"updated_at": "2022-09-04T14:38:01.163159Z",
"structure_string": "V4 O4 F12\n1.0\n5.237929 -0.000000 0.000000\n0.000000 5.237929 0.000000\n0.000000 -0.000000 9.022202\nV O F\n4 4 12\ndirect\n0.105183 0.440049 0.503895 V\n0.440049 0.894817 0.253895 V\n0.559951 0.105183 0.753895 V\n0.894817 0.559951 0.003895 V\n0.059022 0.701504 0.587492 O\n0.298496 0.059022 0.837492 O\n0.701504 0.940978 0.337492 O\n0.940978 0.298496 0.087492 O\n0.780214 0.942181 0.876138 F\n0.665649 0.427313 0.851080 F\n0.560685 0.858262 0.622669 F\n0.572687 0.665649 0.101080 F\n0.427313 0.334351 0.601080 F\n0.141738 0.560685 0.872668 F\n0.334351 0.572687 0.351080 F\n0.219786 0.057819 0.376139 F\n0.858262 0.439315 0.372669 F\n0.057819 0.780214 0.126139 F\n0.439315 0.141738 0.122669 F\n0.942181 0.219786 0.626139 F\n",
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{
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"created_at": "2022-09-04T14:38:52.437291Z",
"updated_at": "2022-09-04T14:38:52.437316Z",
"structure_string": "Mg2 V2 Ga2 S8\n1.0\n6.297859 0.000732 3.609795\n1.961676 5.909776 3.875307\n-0.020365 0.030892 7.334226\nMg V Ga S\n2 2 2 8\ndirect\n0.866608 0.883376 0.883410 Mg\n0.118145 0.131871 0.131826 Mg\n0.497564 0.523690 0.981201 V\n0.497564 0.981195 0.523692 V\n0.507292 0.490661 0.490666 Ga\n0.011390 0.490646 0.490644 Ga\n0.754137 0.737123 0.737136 S\n0.268107 0.242506 0.721274 S\n0.268103 0.721297 0.242484 S\n0.711528 0.259557 0.259568 S\n0.729302 0.291064 0.750345 S\n0.271614 0.737134 0.737131 S\n0.269363 0.259553 0.259547 S\n0.729298 0.750320 0.291085 S\n",
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{
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"created_at": "2022-09-04T14:37:14.941606Z",
"updated_at": "2022-09-04T14:37:14.941621Z",
"structure_string": "Ce1 Se2\n1.0\n2.016653 -3.499790 -0.001381\n4.039351 -0.002966 -0.000019\n1.008185 -1.745242 10.530898\nCe Se\n1 2\ndirect\n0.924780 0.150438 1.000000 Ce\n0.338617 0.483899 0.838366 Se\n0.177602 0.483663 0.161634 Se\n",
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{
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"created_at": "2022-09-04T14:37:27.705896Z",
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"structure_string": "Mg4 V4 P8 O28\n1.0\n0.000000 7.052286 -0.006834\n8.465844 0.000000 0.000000\n0.000000 -3.612573 -8.333942\nMg V P O\n4 4 8 28\ndirect\n0.696067 0.942614 0.817366 Mg\n0.303934 0.442614 0.682633 Mg\n0.696067 0.557385 0.317366 Mg\n0.303934 0.057385 0.182633 Mg\n0.235365 0.074409 0.607479 V\n0.764636 0.925591 0.392520 V\n0.764636 0.574409 0.892520 V\n0.235365 0.425591 0.107479 V\n0.938322 0.268651 0.755170 P\n0.469981 0.721814 0.533292 P\n0.938322 0.231349 0.255170 P\n0.469981 0.778186 0.033292 P\n0.061679 0.768650 0.744829 P\n0.530020 0.221814 0.966707 P\n0.061679 0.731349 0.244829 P\n0.530019 0.278186 0.466707 P\n0.880753 0.112040 0.804361 O\n0.119121 0.237021 0.200906 O\n0.516611 0.910242 0.158319 O\n0.377175 0.224748 0.049004 O\n0.622826 0.775251 0.950995 O\n0.483389 0.410242 0.341680 O\n0.516611 0.589757 0.658319 O\n0.880753 0.387960 0.304361 O\n0.880879 0.737020 0.299093 O\n0.546794 0.115250 0.398859 O\n0.026611 0.599282 0.120758 O\n0.453207 0.884750 0.601140 O\n0.749788 0.331992 0.596233 O\n0.973389 0.099283 0.379241 O\n0.880879 0.762979 0.799093 O\n0.973389 0.400717 0.879241 O\n0.026611 0.900717 0.620758 O\n0.377175 0.275252 0.549004 O\n0.483390 0.089758 0.841680 O\n0.453207 0.615250 0.101140 O\n0.622826 0.724748 0.450996 O\n0.250213 0.831992 0.903766 O\n0.546794 0.384750 0.898859 O\n0.119248 0.887960 0.195639 O\n0.119248 0.612040 0.695639 O\n0.749788 0.168007 0.096233 O\n0.119122 0.262979 0.700906 O\n0.250213 0.668007 0.403766 O\n",
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{
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"structure_string": "Ga1 P1 S4\n1.0\n3.909594 -4.161705 0.000000\n3.909594 4.161705 0.000000\n0.000000 0.000000 3.513703\nGa P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 P\n0.200085 0.200085 0.500000 S\n0.318889 0.681111 0.000000 S\n0.799914 0.799914 0.500000 S\n0.681111 0.318889 0.000000 S\n",
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{
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"structure_string": "Co4 I4 N8 O8\n1.0\n3.823134 0.000000 0.000000\n-0.000000 10.365612 0.000000\n0.000000 0.000000 12.393230\nCo I N O\n4 4 8 8\ndirect\n0.749999 0.561122 0.285867 Co\n0.250000 0.438878 0.714133 Co\n0.749999 0.061122 0.214133 Co\n0.250000 0.938878 0.785867 Co\n0.250000 0.908979 0.150957 I\n0.749999 0.091021 0.849043 I\n0.250000 0.408979 0.349043 I\n0.749999 0.591021 0.650957 I\n0.749999 0.570833 0.153054 N\n0.749999 0.191403 0.137826 N\n0.250000 0.429167 0.846946 N\n0.749999 0.070833 0.346946 N\n0.749999 0.691403 0.362174 N\n0.250000 0.308597 0.637826 N\n0.250000 0.929167 0.653054 N\n0.250000 0.808597 0.862174 N\n0.250000 0.405721 0.939585 O\n0.749999 0.292612 0.095555 O\n0.250000 0.207388 0.595555 O\n0.749999 0.792612 0.404445 O\n0.250000 0.905721 0.560415 O\n0.250000 0.707388 0.904445 O\n0.749999 0.594278 0.060415 O\n0.749999 0.094278 0.439585 O\n",
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{
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"created_at": "2022-09-04T14:37:19.034310Z",
"updated_at": "2022-09-04T14:37:19.034337Z",
"structure_string": "Sr2 Cl4 O8\n1.0\n5.953362 0.000000 0.000000\n0.000000 5.417897 -2.540679\n0.000000 -0.059969 6.919183\nSr Cl O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.250000 0.072501 0.145002 Cl\n0.250000 0.427499 0.854998 Cl\n0.750000 0.572501 0.145002 Cl\n0.750000 0.927500 0.854998 Cl\n0.596516 0.487836 0.288744 O\n0.096516 0.300908 0.288744 O\n0.903484 0.699092 0.711255 O\n0.403484 0.512165 0.711255 O\n0.903484 0.800908 0.288744 O\n0.596516 0.012164 0.711255 O\n0.403484 0.987836 0.288744 O\n0.096516 0.199092 0.711255 O\n",
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]
}