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{
"id": "jvasp-47758",
"created_at": "2022-09-04T14:38:15.013288Z",
"updated_at": "2022-09-04T14:38:15.013302Z",
"structure_string": "Li1 Mn3 O6\n1.0\n0.215352 -4.922122 0.136675\n4.153693 2.649622 0.136675\n-1.692304 0.880229 4.763936\nLi Mn O\n1 3 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.668716 0.331282 -0.000001 Mn\n0.331282 0.668716 -0.000001 Mn\n0.270558 0.270559 0.793678 O\n0.402632 0.075209 0.207720 O\n0.075209 0.402632 0.207720 O\n0.924790 0.597367 0.792279 O\n0.597367 0.924790 0.792279 O\n0.729441 0.729441 0.206321 O\n",
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{
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{
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"structure_string": "Nb6 Si7 Ni16\n1.0\n6.896268 0.000000 3.981562\n2.298756 6.501863 3.981562\n0.000000 0.000000 7.963124\nNb Si Ni\n6 7 16\ndirect\n0.797518 0.202482 0.202482 Nb\n0.202483 0.202482 0.797517 Nb\n0.797518 0.202482 0.797517 Nb\n0.202483 0.797517 0.202482 Nb\n0.202483 0.797517 0.797517 Nb\n0.797518 0.797517 0.202482 Nb\n0.500001 0.500000 0.499999 Si\n0.500000 -0.000000 0.500000 Si\n0.000000 0.500000 -0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500001 0.500000 -0.000000 Si\n-0.000000 -0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.832125 0.832123 0.503628 Ni\n0.167876 0.167876 0.167876 Ni\n0.616575 0.616574 0.616573 Ni\n0.383426 0.383426 0.849721 Ni\n0.383427 0.849722 0.383425 Ni\n0.616574 0.150278 0.616573 Ni\n0.150278 0.616574 0.616573 Ni\n0.616575 0.616574 0.150277 Ni\n0.832125 0.832123 0.832123 Ni\n0.167876 0.167876 0.496371 Ni\n0.167877 0.496371 0.167876 Ni\n0.496372 0.167876 0.167876 Ni\n0.832124 0.503628 0.832123 Ni\n0.503629 0.832123 0.832123 Ni\n0.849723 0.383426 0.383425 Ni\n0.383426 0.383426 0.383425 Ni\n",
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"formula_full": "Nb6 Si7 Ni16",
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{
"id": "jvasp-11220",
"created_at": "2022-09-04T14:38:10.595658Z",
"updated_at": "2022-09-04T14:38:10.595681Z",
"structure_string": "V4 Zn1 O8\n1.0\n4.929061 -0.146781 3.507750\n1.729525 4.618001 3.507750\n-0.218586 -0.146781 6.045840\nV Zn O\n4 1 8\ndirect\n0.500000 0.999999 0.500002 V\n0.999998 0.500000 0.500001 V\n0.499999 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.499999 0.500001 0.499999 Zn\n0.756845 0.267855 0.756847 O\n0.243152 0.243154 0.732146 O\n0.243152 0.732146 0.243153 O\n0.732144 0.243154 0.243154 O\n0.266613 0.266614 0.266613 O\n0.733385 0.733387 0.733387 O\n0.267854 0.756847 0.756847 O\n0.756846 0.756847 0.267855 O\n",
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{
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"updated_at": "2022-09-04T14:36:04.544782Z",
"structure_string": "Be2 Si1 Os1\n1.0\n3.028009 0.000000 0.000000\n0.000000 3.028009 -0.000000\n0.000000 -0.000000 4.874160\nBe Si Os\n2 1 1\ndirect\n0.000000 0.000000 0.014099 Be\n0.500000 0.500000 0.230024 Be\n0.500000 0.500000 0.757638 Si\n0.000000 0.000000 0.498239 Os\n",
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{
"id": "jvasp-33662",
"created_at": "2022-09-04T14:36:52.254497Z",
"updated_at": "2022-09-04T14:36:52.254735Z",
"structure_string": "Cr2 H12 S2 O14\n1.0\n2.785650 6.664665 -0.305382\n-2.785650 6.664665 0.305382\n0.071321 0.000000 7.461603\nCr H S O\n2 12 2 14\ndirect\n0.865252 0.863709 0.504109 Cr\n0.136292 0.134748 0.004109 Cr\n0.019521 0.186479 0.645894 H\n0.813522 0.980480 0.145894 H\n0.959673 0.434752 0.708114 H\n0.565249 0.040328 0.208114 H\n0.507692 0.877307 0.779159 H\n0.122694 0.492309 0.279160 H\n0.619664 0.711848 0.974724 H\n0.288153 0.380337 0.474724 H\n0.718690 0.444991 0.214295 H\n0.555009 0.281311 0.714295 H\n0.636802 0.415257 0.021581 H\n0.584743 0.363199 0.521581 H\n0.147455 0.620103 0.925037 S\n0.379897 0.852546 0.425038 S\n0.540419 0.576773 0.391869 O\n0.423228 0.459582 0.891869 O\n0.334128 0.996737 0.251328 O\n0.003264 0.665873 0.751327 O\n0.129714 0.967795 0.490057 O\n0.032206 0.870286 0.990056 O\n0.521526 0.874421 0.555961 O\n0.125580 0.478475 0.055961 O\n0.701241 0.035003 0.246904 O\n0.964998 0.298760 0.746904 O\n0.109287 0.505549 0.412084 O\n0.494451 0.890714 0.912084 O\n0.592705 0.232444 0.587382 O\n0.767557 0.407295 0.087382 O\n",
"nsites": 30,
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],
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"formula_full": "Cr2 H12 S2 O14",
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},
{
"id": "jvasp-38297",
"created_at": "2022-09-04T14:37:50.166468Z",
"updated_at": "2022-09-04T14:37:50.166496Z",
"structure_string": "Rb2 Te6 Mo6\n1.0\n0.000000 9.910055 0.001075\n4.619385 0.000000 0.000000\n0.000000 -4.954170 -8.582796\nRb Te Mo\n2 6 6\ndirect\n0.666666 0.000000 0.333333 Rb\n0.333335 0.499999 0.666668 Rb\n0.643713 0.000000 0.700155 Te\n0.056444 0.000000 0.356286 Te\n0.299841 0.000000 0.943559 Te\n0.356283 0.499999 0.299840 Te\n0.700166 0.499999 0.056445 Te\n0.943555 0.499999 0.643719 Te\n0.166176 0.000000 0.139613 Mo\n0.860388 0.000000 0.026563 Mo\n0.973438 0.000000 0.833826 Mo\n0.833827 0.499999 0.860387 Mo\n0.026559 0.499999 0.166173 Mo\n0.139614 0.499999 0.973442 Mo\n",
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],
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},
{
"id": "jvasp-51898",
"created_at": "2022-09-04T14:37:05.530728Z",
"updated_at": "2022-09-04T14:37:05.530738Z",
"structure_string": "Tb6 B2 W2 O18\n1.0\n4.261998 -7.381996 0.000000\n4.261998 7.381996 -0.000000\n0.000000 0.000000 5.386606\nTb B W O\n6 2 2 18\ndirect\n0.358166 0.083741 0.701768 Tb\n0.725575 0.641834 0.701768 Tb\n0.641834 0.916260 0.201768 Tb\n0.916260 0.274425 0.701768 Tb\n0.083741 0.725575 0.201768 Tb\n0.274425 0.358166 0.201768 Tb\n0.000000 0.000000 0.865564 B\n0.000000 0.000000 0.365563 B\n0.666667 0.333333 0.245059 W\n0.333333 0.666667 0.745060 W\n0.486110 0.618702 0.979841 O\n0.197235 0.465149 0.536454 O\n0.732087 0.197235 0.036454 O\n0.867409 0.486110 0.479841 O\n0.053341 0.872067 0.856133 O\n0.818727 0.946660 0.856133 O\n0.127933 0.181274 0.856133 O\n0.267913 0.802765 0.536454 O\n0.132592 0.513890 0.979841 O\n0.872067 0.818727 0.356133 O\n0.381298 0.867409 0.979841 O\n0.181274 0.053341 0.356133 O\n0.802765 0.534852 0.036454 O\n0.946660 0.127933 0.356133 O\n0.534852 0.732087 0.536454 O\n0.465149 0.267913 0.036454 O\n0.618702 0.132592 0.479841 O\n0.513890 0.381298 0.479841 O\n",
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{
"id": "jvasp-73710",
"created_at": "2022-09-04T14:35:40.763599Z",
"updated_at": "2022-09-04T14:35:40.763623Z",
"structure_string": "Be2 Ge1 W1\n1.0\n-1.767624 1.767624 3.968937\n1.767624 -1.767624 3.968937\n1.767624 1.767624 -3.968937\nBe Ge W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.749999 0.499999 Ge\n0.749999 0.250000 0.499999 W\n",
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{
"id": "jvasp-97662",
"created_at": "2022-09-04T14:35:55.311094Z",
"updated_at": "2022-09-04T14:35:55.311121Z",
"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n",
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{
"id": "jvasp-121242",
"created_at": "2022-09-04T14:38:50.008149Z",
"updated_at": "2022-09-04T14:38:50.008164Z",
"structure_string": "Sr1 Si1 N2\n1.0\n3.095649 0.000000 -0.000000\n-0.000000 3.095649 0.000000\n-0.000000 -0.000000 5.800654\nSr Si N\n1 1 2\ndirect\n0.500000 0.500000 0.548498 Sr\n0.000000 0.000000 0.085978 Si\n0.000000 0.000000 0.372733 N\n0.500000 0.500000 0.002789 N\n",
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{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
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}
]
}