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{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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{
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"updated_at": "2022-09-04T14:38:43.804528Z",
"structure_string": "Li4 V6 O12\n1.0\n4.948832 -0.022917 0.653787\n-0.768218 6.495269 -0.797132\n0.032849 -0.080043 6.588369\nLi V O\n4 6 12\ndirect\n-0.000019 0.669869 0.669861 Li\n0.500019 0.169861 0.169870 Li\n-0.000034 0.330122 0.330149 Li\n0.500034 0.830147 0.830121 Li\n0.750009 0.249969 0.749972 V\n0.249993 0.750032 0.250029 V\n0.750002 0.907118 0.407116 V\n0.750002 0.592808 0.092806 V\n0.249998 0.092886 0.592886 V\n0.249997 0.407190 0.907190 V\n0.127421 0.031566 0.313436 O\n0.627420 0.531526 0.813378 O\n0.872585 0.968434 0.686573 O\n0.372574 0.468475 0.186615 O\n0.372578 0.813438 0.531563 O\n0.384754 0.132920 0.867131 O\n0.115253 0.367134 0.632917 O\n0.615254 0.867078 0.132872 O\n0.884739 0.632868 0.367083 O\n0.127425 0.686618 0.968473 O\n0.872580 0.313374 0.031531 O\n0.627415 0.186569 0.468438 O\n",
"nsites": 22,
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"formula_full": "Li4 V6 O12",
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{
"id": "jvasp-112810",
"created_at": "2022-09-04T14:38:43.907134Z",
"updated_at": "2022-09-04T14:38:43.907160Z",
"structure_string": "Li3 Fe3 Ni1 O8\n1.0\n4.912428 0.009279 2.815901\n1.619879 4.637675 2.815901\n-0.029151 -0.020737 5.756884\nLi Fe Ni O\n3 3 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.499999 Fe\n0.000000 0.499999 0.500000 Fe\n0.500001 0.499999 0.500000 Fe\n0.000000 -0.000000 0.500000 Ni\n0.753675 0.272067 0.714018 O\n0.262173 0.262172 0.717602 O\n0.754200 0.754198 0.723148 O\n0.272069 0.753673 0.714018 O\n0.727933 0.246326 0.285981 O\n0.245801 0.245801 0.276851 O\n0.737828 0.737827 0.282397 O\n0.246326 0.727931 0.285981 O\n",
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"formula_full": "Li3 Fe3 Ni1 O8",
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},
{
"id": "jvasp-115010",
"created_at": "2022-09-04T14:38:44.107577Z",
"updated_at": "2022-09-04T14:38:44.107595Z",
"structure_string": "Ge2 N2\n1.0\n3.912553 0.034091 -0.440889\n2.048066 -5.200175 0.176119\n0.419517 -3.924200 -2.304880\nGe N\n2 2\ndirect\n0.135286 -0.008058 0.393784 Ge\n0.465011 0.325834 0.486604 Ge\n-0.012325 0.565004 0.572787 N\n0.612612 0.752754 0.307620 N\n",
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{
"id": "jvasp-113154",
"created_at": "2022-09-04T14:38:44.072250Z",
"updated_at": "2022-09-04T14:38:44.072283Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.805460 0.012231 -0.882113\n-0.415977 8.101285 2.381901\n0.054188 0.034848 4.924398\nLi Fe O\n6 4 12\ndirect\n0.749962 0.249971 0.749975 Li\n0.249970 0.749963 0.249971 Li\n0.226551 0.424457 0.575606 Li\n0.726564 0.924492 0.075494 Li\n0.273416 0.075511 0.924505 Li\n0.773415 0.575487 0.424579 Li\n0.998580 0.833808 0.666173 Fe\n0.001435 0.166200 0.333805 Fe\n0.498579 0.333817 0.166181 Fe\n0.501439 0.666209 0.833807 Fe\n0.853482 0.723507 0.003032 O\n0.353474 0.223503 0.503043 O\n0.408504 0.538528 0.188074 O\n0.908499 0.038529 0.688058 O\n0.646537 0.776508 0.496946 O\n0.645674 0.145625 0.124863 O\n0.354341 0.854391 0.875118 O\n0.854336 0.354387 0.375134 O\n0.145675 0.645622 0.624871 O\n0.591518 0.461486 0.811926 O\n0.146538 0.276514 -0.003059 O\n0.091512 0.961490 0.311904 O\n",
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"formula_full": "Li6 Fe4 O12",
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},
{
"id": "jvasp-117238",
"created_at": "2022-09-04T14:38:43.969086Z",
"updated_at": "2022-09-04T14:38:43.969115Z",
"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
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],
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"formula_full": "Ca9 Fe2 N8",
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},
{
"id": "jvasp-113129",
"created_at": "2022-09-04T14:38:44.002109Z",
"updated_at": "2022-09-04T14:38:44.002134Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n2.804717 -0.000748 0.520081\n-1.535234 7.836997 0.466134\n-0.001444 0.089798 7.810013\nMg Fe O\n4 4 8\ndirect\n0.359209 0.027625 0.328739 Mg\n0.636784 0.952287 0.699488 Mg\n0.324568 0.748192 0.117943 Mg\n0.671429 0.231716 0.910264 Mg\n0.368433 0.302568 0.586194 Fe\n0.059106 0.370580 0.272128 Fe\n0.936969 0.609336 0.756045 Fe\n0.627593 0.677366 0.441998 Fe\n0.143408 0.823015 0.556448 O\n0.319642 0.418221 0.799757 O\n0.676437 0.561691 0.228438 O\n0.852651 0.156924 0.471754 O\n0.157792 0.094510 0.800002 O\n0.550148 0.240911 0.160096 O\n0.838214 0.885402 0.228207 O\n0.445925 0.738990 0.868110 O\n",
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},
{
"id": "jvasp-112758",
"created_at": "2022-09-04T14:38:44.054221Z",
"updated_at": "2022-09-04T14:38:44.054247Z",
"structure_string": "Li3 Ni4 O8\n1.0\n5.013015 -0.027520 -0.000825\n-1.759976 4.729124 -2.832406\n0.000889 0.000179 5.664987\nLi Ni O\n3 4 8\ndirect\n0.000000 0.000001 -0.000038 Li\n-0.000007 0.500036 0.000042 Li\n0.000006 0.499964 0.500005 Li\n0.500000 -0.000002 0.251941 Ni\n0.509013 0.504576 0.252289 Ni\n0.490984 0.495421 0.747714 Ni\n0.500000 0.000001 0.748060 Ni\n0.297098 0.748932 0.374487 O\n0.702900 0.251068 0.625554 O\n0.283383 0.754170 0.877058 O\n0.716615 0.245830 0.122888 O\n0.276572 0.277633 0.898217 O\n0.276604 0.277600 0.379392 O\n0.723428 0.722367 0.620588 O\n0.723395 0.722399 0.101795 O\n",
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{
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"created_at": "2022-09-04T14:38:44.061766Z",
"updated_at": "2022-09-04T14:38:44.061790Z",
"structure_string": "Mo2 H16 N4 O8\n1.0\n6.520187 0.021370 2.910813\n3.193702 5.684502 2.910813\n0.059441 0.034915 7.701757\nMo H N O\n2 16 4 8\ndirect\n0.832639 0.832639 0.724482 Mo\n0.167361 0.167361 0.275517 Mo\n0.909607 0.909606 0.254478 H\n0.090393 0.090394 0.745521 H\n0.095309 0.346599 0.695125 H\n0.904691 0.653401 0.304874 H\n0.346599 0.095310 0.695125 H\n0.139619 0.139620 0.913118 H\n0.860381 0.860381 0.086881 H\n0.653401 0.904690 0.304874 H\n0.416004 0.670570 0.638074 H\n0.670569 0.416004 0.638074 H\n0.583996 0.329431 0.361926 H\n0.563797 0.563797 0.158249 H\n0.436203 0.436203 0.841750 H\n0.420144 0.420144 0.206428 H\n0.579855 0.579856 0.793572 H\n0.329430 0.583996 0.361926 H\n0.167278 0.167279 0.761863 N\n0.832722 0.832721 0.238137 N\n0.476356 0.476356 0.271244 N\n0.523643 0.523644 0.728756 N\n0.680539 0.680540 0.908279 O\n0.929494 0.929495 0.832962 O\n0.070505 0.070506 0.167038 O\n0.363258 0.922619 0.423444 O\n0.077381 0.636743 0.576556 O\n0.636742 0.077381 0.576556 O\n0.922619 0.363258 0.423444 O\n0.319461 0.319461 0.091720 O\n",
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{
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"structure_string": "Sr4 La1 Co5 O15\n1.0\n8.240487 -0.024110 2.220596\n6.482669 5.087358 2.220596\n-0.023847 -0.008201 6.615212\nSr La Co O\n4 1 5 15\ndirect\n0.099677 0.099677 0.099566 Sr\n0.700280 0.700280 0.700593 Sr\n0.299720 0.299720 0.299408 Sr\n0.900322 0.900323 0.900435 Sr\n0.500000 0.500000 0.500000 La\n0.898476 0.898476 0.399729 Co\n0.500000 0.500000 0.000000 Co\n0.101524 0.101524 0.600272 Co\n0.701320 0.701320 0.197529 Co\n0.298680 0.298680 0.802472 Co\n0.795659 0.302573 0.795153 O\n0.204341 0.697427 0.204848 O\n0.599766 0.107805 0.599374 O\n0.201098 0.201098 0.695142 O\n0.598388 0.598388 0.105014 O\n-0.000000 0.000000 0.500000 O\n0.892195 0.400234 0.400626 O\n0.798902 0.798902 0.304859 O\n0.107804 0.599766 0.599374 O\n0.500000 -0.000000 0.000000 O\n0.400234 0.892196 0.400626 O\n0.302573 0.795660 0.795153 O\n0.697427 0.204341 0.204848 O\n0.401611 0.401612 0.894987 O\n-0.000000 0.500000 0.000000 O\n",
"nsites": 25,
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"elements": [
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],
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"volume": 278.6615774939862,
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"formula_full": "Sr4 La1 Co5 O15",
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},
{
"id": "jvasp-106880",
"created_at": "2022-09-04T14:38:44.883865Z",
"updated_at": "2022-09-04T14:38:44.883893Z",
"structure_string": "Ca1 V2 O6\n1.0\n3.647205 -0.000000 -0.000000\n-1.823602 4.723009 -1.237562\n-0.000000 -0.129535 7.193991\nCa V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.221429 0.442858 0.664378 V\n0.778571 0.557143 0.335622 V\n0.734422 0.468846 0.594134 O\n0.265578 0.531155 0.405865 O\n0.349358 0.698716 0.878011 O\n0.065491 0.130982 0.713687 O\n0.650642 0.301285 0.121988 O\n0.934509 0.869019 0.286313 O\n",
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],
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"volume": 123.33744630543538,
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"formula_full": "Ca1 V2 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-112889",
"created_at": "2022-09-04T14:38:44.230383Z",
"updated_at": "2022-09-04T14:38:44.230410Z",
"structure_string": "Zr4 Cu2 H10\n1.0\n4.884547 -0.003170 2.996928\n3.527681 3.378501 2.996928\n0.005428 0.002178 8.318039\nZr Cu H\n4 2 10\ndirect\n0.919602 0.919601 0.843540 Zr\n0.080399 0.080399 0.156460 Zr\n0.326393 0.326393 0.574828 Zr\n0.673608 0.673607 0.425172 Zr\n0.622043 0.622043 0.848635 Cu\n0.377958 0.377958 0.151366 Cu\n0.863426 0.863425 0.425191 H\n0.136575 0.136575 0.574809 H\n0.534656 0.534655 0.329492 H\n0.465345 0.465345 0.670509 H\n0.685081 0.685080 0.022238 H\n0.314920 0.314920 0.977762 H\n0.817000 0.817000 0.703344 H\n0.183000 0.183000 0.296656 H\n0.119270 0.119270 0.860279 H\n0.880731 0.880730 0.139722 H\n",
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"volume": 137.2971482243235,
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"formula_full": "Zr4 Cu2 H10",
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"spacegroup": 12
}
]
}