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{
"id": "jvasp-9432",
"created_at": "2022-09-04T14:37:17.216437Z",
"updated_at": "2022-09-04T14:37:17.216466Z",
"structure_string": "Ca2 Ge4 O10\n1.0\n5.389813 -0.012464 -1.293159\n-1.951424 5.024160 -1.293159\n-0.001302 -0.001898 6.944518\nCa Ge O\n2 4 10\ndirect\n0.330072 0.669929 0.750000 Ca\n0.669929 0.330072 0.250000 Ca\n0.315405 0.684596 0.250000 Ge\n0.684596 0.315405 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 -0.000000 0.500000 Ge\n0.689810 0.094185 0.897991 O\n0.905816 0.310190 0.602009 O\n0.310190 0.905816 0.102009 O\n0.094185 0.689810 0.397991 O\n0.249315 0.367686 0.069449 O\n0.632315 0.750685 0.430551 O\n0.071608 0.928392 0.750000 O\n0.928393 0.071608 0.250000 O\n0.367686 0.249315 0.569449 O\n0.750685 0.632315 0.930551 O\n",
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{
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"updated_at": "2022-09-04T14:37:30.360213Z",
"structure_string": "K2 Ti2 P2 Se10\n1.0\n6.553757 0.005552 -0.848917\n-0.360892 6.851276 -2.741332\n0.010767 -0.008414 9.933503\nK Ti P Se\n2 2 2 10\ndirect\n0.764954 0.268117 0.536232 K\n0.235047 0.731884 0.463768 K\n0.000000 0.723927 0.000000 Ti\n0.000000 0.276073 0.000000 Ti\n0.214419 0.137942 0.275882 P\n0.785582 0.862059 0.724118 P\n0.117588 0.914417 0.828834 Se\n0.187897 0.438223 0.876443 Se\n0.660597 0.156368 0.827703 Se\n0.882413 0.085584 0.171166 Se\n0.339404 0.843633 0.172297 Se\n0.660597 0.671336 0.827703 Se\n0.812104 0.561778 0.123557 Se\n0.257722 0.257260 0.514517 Se\n0.339404 0.328665 0.172297 Se\n0.742280 0.742741 0.485483 Se\n",
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{
"id": "jvasp-57693",
"created_at": "2022-09-04T14:37:18.776972Z",
"updated_at": "2022-09-04T14:37:18.777002Z",
"structure_string": "Ba6 Al10\n1.0\n3.042641 -5.270009 -0.000000\n3.042641 5.270009 0.000000\n-0.000000 0.000000 14.736507\nBa Al\n6 10\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.125191 Ba\n0.666667 0.333333 0.625191 Ba\n0.666667 0.333333 0.874809 Ba\n0.333333 0.666667 0.374809 Ba\n0.846002 0.153998 0.250000 Al\n0.153998 0.307997 0.750000 Al\n0.692003 0.846002 0.750000 Al\n0.307997 0.153998 0.250000 Al\n0.846002 0.692003 0.250000 Al\n0.153998 0.846002 0.750000 Al\n0.333333 0.666667 0.885730 Al\n0.666667 0.333333 0.385730 Al\n0.666667 0.333333 0.114270 Al\n0.333333 0.666667 0.614270 Al\n",
"nsites": 16,
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{
"id": "jvasp-11165",
"created_at": "2022-09-04T14:37:19.273059Z",
"updated_at": "2022-09-04T14:37:19.273079Z",
"structure_string": "K2 Fe1 Ni1 C6 N6\n1.0\n6.223449 -0.000000 3.593110\n2.074483 5.867524 3.593110\n-0.000000 -0.000000 7.186220\nK Fe Ni C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.184568 0.815431 0.184569 C\n0.815431 0.184569 0.815431 C\n0.184568 0.815431 0.815432 C\n0.815431 0.815431 0.184569 C\n0.815431 0.184569 0.184569 C\n0.184569 0.184569 0.815431 C\n0.699804 0.699803 0.300196 N\n0.300196 0.699803 0.699804 N\n0.699804 0.300196 0.699804 N\n0.300196 0.699803 0.300196 N\n0.699804 0.300196 0.300196 N\n0.300196 0.300196 0.699804 N\n",
"nsites": 16,
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{
"id": "jvasp-10562",
"created_at": "2022-09-04T14:37:18.782066Z",
"updated_at": "2022-09-04T14:37:18.782093Z",
"structure_string": "Rb4 Nb2 Ag2 Se8\n1.0\n5.916516 0.000000 1.479737\n2.958258 6.940000 0.739868\n0.023371 0.000000 12.474591\nRb Nb Ag Se\n4 2 2 8\ndirect\n0.806416 0.750000 0.387170 Rb\n0.193585 0.250000 0.612830 Rb\n0.443585 0.750000 0.112831 Rb\n0.556415 0.250000 0.887170 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875001 0.250000 0.250000 Ag\n0.125000 0.750000 0.750000 Ag\n0.759608 0.040746 0.131659 Se\n0.567988 0.540747 0.631659 Se\n0.891266 0.540747 0.868342 Se\n0.800355 0.959254 0.631659 Se\n0.432013 0.459254 0.368342 Se\n0.199646 0.040746 0.368342 Se\n0.108734 0.459254 0.131659 Se\n0.240393 0.959254 0.868342 Se\n",
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"volume": 511.9744481220113,
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"formula_full": "Rb4 Nb2 Ag2 Se8",
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{
"id": "jvasp-9207",
"created_at": "2022-09-04T14:37:14.283627Z",
"updated_at": "2022-09-04T14:37:14.283646Z",
"structure_string": "Ca4 Fe4 O8\n1.0\n-3.263694 0.023108 -0.024718\n0.035408 7.740005 0.023734\n-0.046424 -2.475272 -7.460279\nCa Fe O\n4 4 8\ndirect\n0.754266 0.215842 0.057706 Ca\n0.269754 0.812367 0.922213 Ca\n0.274696 0.079185 0.674249 Ca\n0.749335 0.949017 0.305666 Ca\n0.247080 0.576969 0.184981 Fe\n0.207809 0.355751 0.436385 Fe\n0.816237 0.672448 0.543547 Fe\n0.777011 0.451247 0.794933 Fe\n0.310002 0.568277 0.669052 O\n0.246185 0.805069 0.428370 O\n0.777856 0.223125 0.551542 O\n0.714096 0.459927 0.310873 O\n0.768351 0.679994 0.057455 O\n0.250592 0.081091 0.181569 O\n0.255663 0.348207 0.922459 O\n0.773431 0.947109 0.798342 O\n",
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"formula_full": "Ca4 Fe4 O8",
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{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
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{
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"created_at": "2022-09-04T14:37:18.953693Z",
"updated_at": "2022-09-04T14:37:18.953708Z",
"structure_string": "Mg2 V4 O10\n1.0\n0.000000 4.837904 -0.000236\n3.377147 0.000000 0.000000\n0.000000 -0.000687 -11.496709\nMg V O\n2 4 10\ndirect\n0.179170 0.500000 0.250021 Mg\n0.820829 0.000000 0.750018 Mg\n0.613638 0.000000 0.098739 V\n0.386353 0.500000 0.901258 V\n0.386354 0.500000 0.598736 V\n0.613650 0.000000 0.401261 V\n0.563224 0.500000 0.750000 O\n0.436775 0.000000 0.250001 O\n0.433800 0.500000 0.075012 O\n0.566205 0.000000 0.924980 O\n0.433797 0.500000 0.424980 O\n0.566196 0.000000 0.575012 O\n0.949163 0.000000 0.365500 O\n0.050847 0.500000 0.634493 O\n0.050842 0.500000 0.865493 O\n0.949148 0.000000 0.134500 O\n",
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{
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"created_at": "2022-09-04T14:37:30.495502Z",
"updated_at": "2022-09-04T14:37:30.495526Z",
"structure_string": "Al2 V8 C6\n1.0\n1.464623 -2.536801 -0.000000\n1.464623 2.536801 -0.000000\n0.000000 -0.000000 22.791560\nAl V C\n2 8 6\ndirect\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.000000 0.000000 0.654755 V\n0.000000 0.000000 0.345245 V\n0.000000 0.000000 0.845245 V\n0.333332 0.666666 0.554335 V\n0.666666 0.333332 0.054335 V\n0.000000 0.000000 0.154755 V\n0.666666 0.333332 0.445665 V\n0.333332 0.666666 0.945665 V\n0.333332 0.666666 0.107954 C\n0.666666 0.333332 0.607954 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.392046 C\n0.666666 0.333332 0.892046 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:37:17.606674Z",
"updated_at": "2022-09-04T14:37:17.606699Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.418879 0.194172 0.036682\n1.203731 8.143028 -0.051920\n1.611666 0.275752 9.147775\nZn Sn O\n4 4 8\ndirect\n0.582670 0.017532 0.318780 Zn\n0.413357 0.962386 0.709422 Zn\n0.307280 0.774815 0.099731 Zn\n0.688771 0.205097 0.928470 Zn\n0.817749 0.293752 0.574943 Sn\n-0.017419 0.361073 0.183238 Sn\n0.013465 0.618845 0.844963 Sn\n0.178271 0.686168 0.453259 Sn\n0.574065 0.811735 0.539046 O\n0.114927 0.337259 0.948880 O\n0.881121 0.642656 0.079319 O\n0.421958 0.168184 0.489156 O\n0.835066 0.091520 0.740491 O\n0.589256 0.182554 0.149048 O\n0.160965 0.888397 0.287710 O\n0.406788 0.797360 0.879152 O\n",
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{
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"created_at": "2022-09-04T14:37:08.895940Z",
"updated_at": "2022-09-04T14:37:08.895966Z",
"structure_string": "Li4 Ti4 S8\n1.0\n-5.016775 5.016775 0.000000\n5.016775 -0.000000 5.016780\n5.016775 5.016775 -0.000000\nLi Ti S\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500001 Ti\n-0.000000 0.500000 0.500001 Ti\n0.747427 0.005148 0.747427 S\n0.747426 0.494852 0.257723 S\n0.747426 0.494852 0.747427 S\n0.257723 0.005148 0.747427 S\n0.252574 0.505148 0.252575 S\n0.742278 0.994852 0.252575 S\n0.252574 0.994852 0.252575 S\n0.252574 0.505148 0.742278 S\n",
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"volume": 252.52495314005498,
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{
"id": "jvasp-11379",
"created_at": "2022-09-04T14:37:07.691850Z",
"updated_at": "2022-09-04T14:37:07.691862Z",
"structure_string": "Rb4 V2 Cu2 S8\n1.0\n5.308064 0.000000 1.234191\n2.654031 6.629382 0.617096\n0.021619 0.000000 11.938693\nRb V Cu S\n4 2 2 8\ndirect\n0.053625 0.250000 0.892749 Rb\n0.696375 0.250000 0.607251 Rb\n0.303625 0.750000 0.392749 Rb\n0.946374 0.750000 0.107251 Rb\n0.874999 0.250000 0.250000 V\n0.125000 0.750000 0.750000 V\n0.625000 0.750000 0.750000 Cu\n0.375000 0.250000 0.250000 Cu\n0.397032 0.558788 0.858028 S\n0.313848 0.941212 0.641973 S\n0.044180 0.558788 0.641972 S\n0.744940 0.941212 0.858028 S\n0.255060 0.058788 0.141972 S\n0.686152 0.058788 0.358027 S\n0.955819 0.441212 0.358028 S\n0.602967 0.441212 0.141972 S\n",
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]
}