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{
"id": "jvasp-34239",
"created_at": "2022-09-04T14:37:14.021105Z",
"updated_at": "2022-09-04T14:37:14.021120Z",
"structure_string": "Li4 C1 O4\n1.0\n4.522964 0.426432 0.878979\n0.802300 4.471619 0.878980\n0.463625 0.426432 4.584198\nLi C O\n4 1 4\ndirect\n0.944100 0.429122 0.429123 Li\n0.429122 0.944100 0.429122 Li\n0.429123 0.429121 0.944101 Li\n0.813366 0.813365 0.813366 Li\n0.040695 0.040695 0.040695 C\n0.274013 0.851003 0.851004 O\n0.175916 0.175916 0.175916 O\n0.851003 0.274011 0.851004 O\n0.851002 0.851003 0.274013 O\n",
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{
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{
"id": "jvasp-50026",
"created_at": "2022-09-04T14:37:02.136210Z",
"updated_at": "2022-09-04T14:37:02.136224Z",
"structure_string": "Al8 O12\n1.0\n0.000000 3.187565 -0.020460\n12.127537 0.000000 0.000000\n0.000000 -1.444322 -5.055851\nAl O\n8 12\ndirect\n0.580900 0.166030 0.158352 Al\n0.819928 0.433218 0.179000 Al\n0.180073 0.933218 0.321000 Al\n0.419102 0.666030 0.341648 Al\n0.580900 0.333970 0.658351 Al\n0.819929 0.066782 0.679000 Al\n0.180074 0.566782 0.820999 Al\n0.419102 0.833970 0.841648 Al\n0.327123 -0.007790 0.690151 O\n0.672879 0.492210 0.809848 O\n0.018803 0.373663 0.506591 O\n0.596545 0.194292 0.505610 O\n0.403457 0.805708 0.494390 O\n0.596545 0.305708 0.005610 O\n0.327123 0.507790 0.190151 O\n0.672879 0.007790 0.309848 O\n0.403457 0.694293 0.994389 O\n0.018802 0.126337 0.006591 O\n0.981199 0.626337 0.493408 O\n0.981200 0.873663 0.993408 O\n",
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"elements": [
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"volume": 195.80399070760646,
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{
"id": "jvasp-50004",
"created_at": "2022-09-04T14:38:09.037378Z",
"updated_at": "2022-09-04T14:38:09.037401Z",
"structure_string": "Li5 Ta1 O5\n1.0\n4.871638 2.005706 0.014662\n-4.871638 2.005706 -0.014662\n-1.876968 0.000000 5.505152\nLi Ta O\n5 1 5\ndirect\n0.285502 0.714500 0.652658 Li\n0.307957 0.692044 0.140099 Li\n-0.000000 0.000000 0.500000 Li\n0.692044 0.307958 0.859901 Li\n0.714500 0.285502 0.347342 Li\n0.000000 0.000000 0.000000 Ta\n0.146563 0.853439 0.825581 O\n0.157613 0.842389 0.318973 O\n0.500001 0.500001 0.000000 O\n0.842388 0.157613 0.681027 O\n0.853439 0.146563 0.174419 O\n",
"nsites": 11,
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"elements": [
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{
"id": "jvasp-103668",
"created_at": "2022-09-04T14:36:42.429718Z",
"updated_at": "2022-09-04T14:36:42.429731Z",
"structure_string": "Zn2 Ni1 O3\n1.0\n3.900963 -0.004683 -3.492966\n-0.390117 2.872899 -4.360345\n-0.001459 0.004683 5.236251\nZn Ni O\n2 1 3\ndirect\n0.665645 0.665647 0.000000 Zn\n0.334354 0.334354 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.499999 O\n0.163075 0.663076 0.500000 O\n0.836923 0.336925 0.499999 O\n",
"nsites": 6,
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"formula_full": "Zn2 Ni1 O3",
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"spacegroup": 71
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{
"id": "jvasp-30114",
"created_at": "2022-09-04T14:38:06.808327Z",
"updated_at": "2022-09-04T14:38:06.808352Z",
"structure_string": "Mn2 O4\n1.0\n1.436905 -2.347495 -0.000295\n3.212081 0.353375 4.063225\n-3.903873 -2.390033 0.938843\nMn O\n2 4\ndirect\n-0.004909 0.008680 0.971207 Mn\n0.499962 -0.001219 0.528313 Mn\n0.125305 0.747936 0.553115 O\n0.596574 0.805515 0.076102 O\n0.369743 0.259525 0.946415 O\n0.898469 0.201937 0.423430 O\n",
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},
{
"id": "jvasp-42809",
"created_at": "2022-09-04T14:35:52.088130Z",
"updated_at": "2022-09-04T14:35:52.088156Z",
"structure_string": "Co8 O8 F8\n1.0\n4.452328 -0.007615 -0.000304\n-0.007615 4.452328 -0.000304\n-0.000935 -0.000935 11.855672\nCo O F\n8 8 8\ndirect\n0.975848 0.960750 -0.001199 Co\n0.039252 0.024153 0.251200 Co\n0.983406 0.964365 0.501427 Co\n0.035635 0.016594 0.748574 Co\n0.539210 0.460791 0.125000 Co\n0.473504 0.526496 0.625000 Co\n0.479620 0.529536 0.376742 Co\n0.470465 0.520380 0.873259 Co\n0.827973 0.172028 0.125000 O\n0.676012 0.691044 0.501815 O\n0.688549 0.670583 -0.001815 O\n0.308956 0.323988 0.748186 O\n0.329419 0.311453 0.251816 O\n0.185763 0.810700 0.871958 O\n0.189300 0.814238 0.378042 O\n0.187069 0.812931 0.625000 O\n0.231020 0.768981 0.125000 F\n0.289172 0.267759 0.998211 F\n0.272709 0.289922 0.501606 F\n0.732242 0.710829 0.251790 F\n0.710079 0.727292 0.748394 F\n0.794176 0.205824 0.625000 F\n0.785764 0.205134 0.381820 F\n0.794867 0.214236 0.868180 F\n",
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"formula_full": "Co8 O8 F8",
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},
{
"id": "jvasp-10793",
"created_at": "2022-09-04T14:38:04.699008Z",
"updated_at": "2022-09-04T14:38:04.699032Z",
"structure_string": "Si6 N8\n1.0\n5.304431 0.000000 -1.875399\n-2.652215 4.593771 -1.875399\n0.000000 0.000000 5.626198\nSi N\n6 8\ndirect\n0.750000 0.375000 0.625000 Si\n0.125001 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.625001 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.062376 0.062376 0.062376 N\n0.937624 0.500000 -0.000000 N\n0.500000 -0.000000 0.937624 N\n0.000001 0.937624 0.500000 N\n0.500000 -0.000000 0.437624 N\n0.000000 0.437624 0.500000 N\n0.562376 0.562376 0.562376 N\n0.437624 0.500000 -0.000000 N\n",
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"volume": 137.0954868834447,
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"formula_full": "Si6 N8",
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{
"id": "jvasp-50747",
"created_at": "2022-09-04T14:37:28.951756Z",
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"structure_string": "Li5 Cu1 F8\n1.0\n4.998074 -0.018684 0.000000\n-1.716492 4.694118 0.000000\n0.000000 0.000000 5.851415\nLi Cu F\n5 1 8\ndirect\n0.000000 0.500000 0.227969 Li\n0.000000 0.500000 0.772032 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 0.227969 Li\n0.500000 0.000000 0.772032 Li\n0.500000 0.500001 0.500000 Cu\n0.264232 0.735769 0.000000 F\n0.265971 0.734030 0.500000 F\n0.271179 0.271179 0.260263 F\n0.271179 0.271179 0.739738 F\n0.728821 0.728822 0.260263 F\n0.728821 0.728822 0.739738 F\n0.734029 0.265972 0.500000 F\n0.735768 0.264233 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:41.735528Z",
"updated_at": "2022-09-04T14:38:41.735554Z",
"structure_string": "N1 F1\n1.0\n3.303176 -0.000000 -0.000000\n-1.651588 2.860635 0.000000\n-0.000000 0.000000 2.072720\nN F\n1 1\ndirect\n0.000000 0.000000 0.000000 N\n0.333333 0.666667 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:36:33.166600Z",
"updated_at": "2022-09-04T14:36:33.166619Z",
"structure_string": "Co4 Cu2 O8\n1.0\n-4.239891 4.020980 0.003292\n4.239891 0.003292 4.020980\n4.239891 4.020980 0.003292\nCo Cu O\n4 2 8\ndirect\n0.012018 -0.000000 0.987982 Co\n0.625000 0.249999 0.625000 Co\n0.237982 0.500000 0.262018 Co\n0.125000 0.750000 0.625000 Co\n0.625000 0.250000 0.125000 Cu\n0.625000 0.749999 0.625000 Cu\n0.839379 0.237872 0.398495 O\n0.367554 0.228412 0.404034 O\n0.882445 0.271587 0.845967 O\n0.882445 0.728412 0.389142 O\n0.886368 0.737872 0.851505 O\n0.410621 0.262127 0.851505 O\n0.363631 0.762127 0.398495 O\n0.367554 0.771587 0.860858 O\n",
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{
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"created_at": "2022-09-04T14:38:44.831264Z",
"updated_at": "2022-09-04T14:38:44.831291Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n4.343760 0.111790 0.344744\n1.245361 3.834748 0.853023\n-0.054789 0.462450 6.016452\nZn H C O\n1 2 3 4\ndirect\n0.484773 0.094919 0.392752 Zn\n0.198986 0.692961 0.921745 H\n0.764482 0.893899 0.855463 H\n0.032692 0.506562 0.672677 C\n0.976553 0.648540 0.884368 C\n0.909244 0.373882 0.091193 C\n-0.184009 0.622858 0.512667 O\n0.305334 0.261007 0.666613 O\n0.133525 0.098782 0.202823 O\n0.609336 0.434251 0.138908 O\n",
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"formula_full": "Zn1 H2 C3 O4",
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}
]
}