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{
"id": "jvasp-50910",
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"structure_string": "Sc4 Ti4 O12\n1.0\n5.115429 0.000000 0.000000\n0.000000 5.505446 0.000000\n0.000000 0.000000 7.517686\nSc Ti O\n4 4 12\ndirect\n0.973456 0.925816 0.758038 Sc\n0.526544 0.425815 0.758038 Sc\n0.473456 0.574185 0.258038 Sc\n0.026544 0.074185 0.258038 Sc\n0.000005 0.499990 0.508046 Ti\n0.499995 -0.000011 0.508046 Ti\n0.500005 0.000011 0.008046 Ti\n-0.000005 0.500011 0.008046 Ti\n0.181047 0.809574 0.078635 O\n0.318971 0.309569 0.437481 O\n0.318953 0.309573 0.078635 O\n0.352253 0.066221 0.758051 O\n0.647747 0.933780 0.258051 O\n0.818953 0.190427 0.578635 O\n0.681047 0.690428 0.578635 O\n0.818971 0.190432 0.937482 O\n0.181029 0.809569 0.437481 O\n0.852254 0.433779 0.258051 O\n0.681029 0.690432 0.937482 O\n0.147747 0.566222 0.758051 O\n",
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{
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"structure_string": "Cr12 N8\n1.0\n4.763773 0.000000 0.000000\n0.000000 5.158279 0.000000\n0.000000 0.000000 7.404823\nCr N\n12 8\ndirect\n0.384007 0.601840 0.833788 Cr\n0.430549 0.750000 0.500000 Cr\n0.069451 0.250000 0.000000 Cr\n0.930549 0.750000 0.000000 Cr\n0.615993 0.101840 0.833788 Cr\n0.884006 0.601840 0.666211 Cr\n0.569450 0.250000 0.500000 Cr\n0.615993 0.398160 0.166211 Cr\n0.384007 0.898160 0.166211 Cr\n0.115993 0.398160 0.333789 Cr\n0.115993 0.101840 0.666211 Cr\n0.884006 0.898160 0.333789 Cr\n0.751897 0.547128 0.392539 N\n0.251898 0.547128 0.107461 N\n0.248102 0.047128 0.392539 N\n0.248102 0.452872 0.607461 N\n0.251898 0.952872 0.892539 N\n0.748102 0.452872 0.892539 N\n0.751897 0.952872 0.607461 N\n0.748102 0.047128 0.107461 N\n",
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{
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"created_at": "2022-09-04T14:37:31.508592Z",
"updated_at": "2022-09-04T14:37:31.508614Z",
"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.888113 -0.005585 0.015701\n1.425752 6.294798 0.036708\n-0.206924 -1.955025 -9.410960\nLi Mn Ni O\n5 1 4 10\ndirect\n0.399267 0.809011 0.202032 Li\n0.199949 0.399997 0.599995 Li\n0.000782 0.990992 0.997967 Li\n0.795841 0.605115 0.404232 Li\n0.604088 0.194886 0.795768 Li\n0.700023 0.400001 0.100001 Mn\n0.488982 0.998875 0.499798 Ni\n0.911007 0.801121 0.700202 Ni\n0.091387 0.200681 0.301236 Ni\n0.308624 0.599318 0.898765 Ni\n0.921451 0.909083 0.361127 O\n0.239337 0.494141 0.234366 O\n0.053641 0.080930 0.642796 O\n0.346315 0.719063 0.557201 O\n0.478560 0.890919 0.838876 O\n0.160710 0.305861 0.965637 O\n0.559921 0.121865 0.151913 O\n0.619696 0.277913 0.444402 O\n0.840118 0.678136 0.048088 O\n0.780295 0.522086 0.755602 O\n",
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{
"id": "jvasp-59654",
"created_at": "2022-09-04T14:37:29.176018Z",
"updated_at": "2022-09-04T14:37:29.176045Z",
"structure_string": "B8 Mo8 Ir4\n1.0\n3.267868 0.000000 0.000000\n0.000000 7.404902 0.000000\n0.000000 0.000000 9.434566\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.123997 0.263485 B\n0.000000 0.614954 0.041044 B\n0.000000 0.385046 0.958957 B\n0.000000 0.376003 0.763485 B\n0.500000 0.114954 0.458957 B\n0.000000 0.623997 0.236515 B\n0.500000 0.876003 0.736515 B\n0.500000 0.885046 0.541044 B\n0.000000 0.926922 0.361729 Mo\n0.500000 0.573078 0.861729 Mo\n0.000000 0.310114 0.369571 Mo\n0.500000 0.189886 0.869571 Mo\n0.000000 0.073078 0.638271 Mo\n0.000000 0.689886 0.630430 Mo\n0.500000 0.426922 0.138271 Mo\n0.500000 0.810114 0.130429 Mo\n0.000000 0.879280 0.888840 Ir\n0.500000 0.620720 0.388839 Ir\n0.000000 0.120720 0.111161 Ir\n0.500000 0.379280 0.611161 Ir\n",
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"volume": 228.29991395895777,
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{
"id": "jvasp-57518",
"created_at": "2022-09-04T14:37:28.803373Z",
"updated_at": "2022-09-04T14:37:28.803389Z",
"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
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},
{
"id": "jvasp-21326",
"created_at": "2022-09-04T14:37:06.913699Z",
"updated_at": "2022-09-04T14:37:06.913709Z",
"structure_string": "Zn4 Cu2 W2 O12\n1.0\n0.000000 5.001263 0.007954\n5.107185 0.000000 0.000000\n0.000000 -4.888541 -8.571515\nZn Cu W O\n4 2 2 12\ndirect\n0.255090 0.973341 0.263319 Zn\n0.744911 0.473341 0.236682 Zn\n0.744911 0.026660 0.736682 Zn\n0.255090 0.526660 0.763319 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.661669 0.116522 0.300939 O\n0.338331 0.616523 0.199062 O\n0.725817 0.691907 0.045447 O\n0.274184 0.191907 0.454554 O\n0.274184 0.308094 0.954554 O\n0.918522 0.198962 0.103207 O\n0.081479 0.801039 0.896794 O\n0.918522 0.301039 0.603207 O\n0.338332 0.883479 0.699062 O\n0.081478 0.698962 0.396794 O\n0.725817 0.808094 0.545447 O\n0.661669 0.383478 0.800939 O\n",
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{
"id": "jvasp-49172",
"created_at": "2022-09-04T14:37:08.679354Z",
"updated_at": "2022-09-04T14:37:08.679369Z",
"structure_string": "Ho6 Sc2 O12\n1.0\n6.551328 0.010711 -0.250268\n-0.260420 6.546159 -0.250268\n0.010276 0.010711 6.556099\nHo Sc O\n6 2 12\ndirect\n0.438580 0.746806 0.931055 Ho\n0.746807 0.931055 0.438579 Ho\n0.561421 0.253193 0.068945 Ho\n0.068945 0.561420 0.253193 Ho\n0.253194 0.068945 0.561420 Ho\n0.931056 0.438579 0.746806 Ho\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.693305 0.929401 0.085975 O\n0.070599 0.914025 0.306695 O\n0.407008 0.537123 0.192962 O\n0.085976 0.693304 0.929401 O\n0.929402 0.085975 0.693304 O\n0.807038 0.592993 0.462877 O\n0.462878 0.807038 0.592992 O\n0.592993 0.462877 0.807038 O\n0.192962 0.407007 0.537123 O\n0.537123 0.192962 0.407007 O\n0.306696 0.070599 0.914025 O\n0.914025 0.306695 0.070598 O\n",
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{
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"created_at": "2022-09-04T14:37:08.484334Z",
"updated_at": "2022-09-04T14:37:08.484355Z",
"structure_string": "Mo2 H8 O10\n1.0\n4.029885 -0.057740 -0.011849\n-0.067915 6.430280 0.119756\n0.005342 1.407262 7.536684\nMo H O\n2 8 10\ndirect\n0.041362 0.987346 0.280352 Mo\n0.894536 0.039759 0.773283 Mo\n0.973633 0.437782 0.261502 H\n0.772225 0.387733 0.582866 H\n0.286334 0.408617 0.543496 H\n0.012431 0.651039 0.717779 H\n0.291806 0.429981 0.028588 H\n0.766081 0.368881 0.096263 H\n0.573240 0.576535 0.906017 H\n0.495019 0.589473 0.403595 H\n0.970849 0.333453 0.670332 O\n0.963937 0.038895 0.001225 O\n0.977003 0.014922 0.504455 O\n0.507844 0.431749 -0.033089 O\n0.491965 0.441548 0.467444 O\n0.474573 0.013064 0.259420 O\n0.466860 0.043430 0.755234 O\n0.972506 0.716644 0.294287 O\n0.970603 0.332259 0.183648 O\n0.955814 0.736981 0.804997 O\n",
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{
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"created_at": "2022-09-04T14:37:28.100253Z",
"updated_at": "2022-09-04T14:37:28.100273Z",
"structure_string": "Ba4 Pr2 Ir2 O12\n1.0\n6.085285 -0.000000 0.000000\n0.000000 6.085285 -0.000000\n-0.000000 -0.000000 8.613992\nBa Pr Ir O\n4 2 2 12\ndirect\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.500000 0.750000 Ba\n0.000000 0.500000 0.250000 Ba\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.740015 0.279964 0.500000 O\n0.259985 0.720036 0.500000 O\n0.500000 0.500000 0.730105 O\n0.000000 0.000000 0.230105 O\n0.279964 0.259985 0.500000 O\n0.500000 0.500000 0.269895 O\n0.220036 0.759986 0.000000 O\n0.000000 0.000000 0.769895 O\n0.759986 0.779965 0.000000 O\n0.779965 0.240015 0.000000 O\n0.720036 0.740015 0.500000 O\n0.240015 0.220036 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
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{
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"created_at": "2022-09-04T14:37:08.220105Z",
"updated_at": "2022-09-04T14:37:08.220129Z",
"structure_string": "Ga2 H8 N2 F8\n1.0\n4.954401 0.000000 -1.884499\n-0.716805 4.902273 -1.884499\n-0.008341 -0.009650 7.432950\nGa H N F\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.314384 0.591094 0.405478 H\n0.814384 0.314383 0.405478 H\n0.591095 0.091095 0.405478 H\n0.091096 0.814383 0.405478 H\n0.185617 0.685616 0.594522 H\n0.685617 0.408905 0.594521 H\n0.908905 0.185616 0.594521 H\n0.408906 0.908905 0.594521 H\n0.250001 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.681214 0.181213 -0.000000 F\n0.854659 0.854657 0.709317 F\n0.354658 0.354658 0.709317 F\n0.145342 0.145342 0.290683 F\n0.181214 0.318786 -0.000000 F\n0.818787 0.681213 -0.000000 F\n0.318787 0.818786 -0.000000 F\n0.645343 0.645342 0.290683 F\n",
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{
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"created_at": "2022-09-04T14:37:14.425482Z",
"updated_at": "2022-09-04T14:37:14.425508Z",
"structure_string": "Er4 Al4 O12\n1.0\n5.158439 -0.000000 0.000000\n-0.000000 5.363270 0.000000\n0.000000 0.000000 7.379195\nEr Al O\n4 4 12\ndirect\n0.014646 0.940454 0.750000 Er\n0.485355 0.440454 0.750000 Er\n0.514646 0.559546 0.250000 Er\n0.985355 0.059546 0.250000 Er\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.798456 0.797204 0.048470 O\n0.701545 0.297204 0.451530 O\n0.701545 0.297204 0.048470 O\n0.592785 0.026583 0.750000 O\n0.407215 0.973417 0.250000 O\n0.201544 0.202796 0.548470 O\n0.298456 0.702796 0.951530 O\n0.201544 0.202796 0.951530 O\n0.798456 0.797204 0.451530 O\n0.092785 0.473417 0.250000 O\n0.298456 0.702796 0.548470 O\n0.907215 0.526583 0.750000 O\n",
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]
}