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{
"id": "jvasp-45577",
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"updated_at": "2022-09-04T14:37:28.219571Z",
"structure_string": "Mg2 Ni2 Ge4 O12\n1.0\n5.113223 -0.217625 0.908672\n1.050079 6.467582 0.611204\n-0.286781 -0.044294 6.574317\nMg Ni Ge O\n2 2 4 12\ndirect\n0.750000 0.266652 0.733348 Mg\n0.250000 0.733348 0.266651 Mg\n0.750000 0.909318 0.090680 Ni\n0.250000 0.090681 0.909319 Ni\n0.795232 0.397161 0.205596 Ge\n0.704768 0.794403 0.602838 Ge\n0.204768 0.602839 0.794403 Ge\n0.295232 0.205597 0.397162 Ge\n0.628077 0.975343 0.794987 O\n0.871923 0.205012 0.024656 O\n0.617317 0.629376 0.136469 O\n0.882683 0.863530 0.370623 O\n0.382683 0.370624 0.863530 O\n0.894410 0.564291 0.708733 O\n0.105590 0.435709 0.291267 O\n0.394410 0.708733 0.564291 O\n0.128077 0.794987 0.975343 O\n0.605590 0.291267 0.435709 O\n0.117317 0.136470 0.629377 O\n0.371923 0.024656 0.205013 O\n",
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{
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"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160758 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700088\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750000 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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{
"id": "jvasp-57587",
"created_at": "2022-09-04T14:37:28.207384Z",
"updated_at": "2022-09-04T14:37:28.207410Z",
"structure_string": "Na6 Fe2 F12\n1.0\n0.000000 5.418220 -0.005819\n5.679893 0.000000 0.000000\n0.000000 -0.046124 -7.805712\nNa Fe F\n6 2 12\ndirect\n0.769529 0.076062 0.497264 Na\n0.230472 0.576062 0.502736 Na\n0.730504 0.948347 0.002707 Na\n0.269496 0.448347 0.997292 Na\n0.749991 0.512212 0.250009 Na\n0.250009 0.012212 0.749991 Na\n0.250019 0.012195 0.249994 Fe\n0.749981 0.512195 0.750006 Fe\n0.366476 0.962876 0.474562 F\n0.633524 0.462876 0.525438 F\n0.915409 0.788355 0.681872 F\n0.084591 0.288355 0.318128 F\n0.866446 0.561503 0.974573 F\n0.584564 0.236051 0.818153 F\n0.032246 0.335567 0.696609 F\n0.967755 0.835567 0.303391 F\n0.467721 0.688828 0.803392 F\n0.415437 0.736051 0.181847 F\n0.133555 0.061503 0.025427 F\n0.532280 0.188828 0.196608 F\n",
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{
"id": "jvasp-49853",
"created_at": "2022-09-04T14:37:15.191593Z",
"updated_at": "2022-09-04T14:37:15.191621Z",
"structure_string": "Tm4 Ga4 O12\n1.0\n5.220241 0.000000 0.000000\n0.000000 5.558169 0.000000\n0.000000 0.000000 7.549633\nTm Ga O\n4 4 12\ndirect\n0.021245 0.072614 0.990932 Tm\n0.478755 0.572614 0.990932 Tm\n0.521245 0.427386 0.490932 Tm\n0.978755 0.927386 0.490932 Tm\n0.000000 0.499994 0.240929 Ga\n0.500000 0.999994 0.240929 Ga\n0.500000 0.000006 0.740929 Ga\n-0.000000 0.500006 0.740929 Ga\n0.809970 0.193058 0.301091 O\n0.690030 0.693058 0.301091 O\n0.690040 0.693082 0.680753 O\n0.619256 0.956824 0.990925 O\n0.380744 0.043176 0.490926 O\n0.190040 0.806918 0.180753 O\n0.309970 0.306942 0.801091 O\n0.190030 0.806942 0.801091 O\n0.809960 0.193082 0.680753 O\n0.119256 0.543176 0.490926 O\n0.309960 0.306918 0.180753 O\n0.880744 0.456824 0.990925 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.447382Z",
"structure_string": "K4 P4 O12\n1.0\n4.476448 -0.000000 0.000000\n0.000000 5.822208 0.000000\n0.000000 0.000000 12.318473\nK P O\n4 4 12\ndirect\n0.219925 0.750000 0.594884 K\n0.719925 0.750000 0.905116 K\n0.780075 0.250000 0.405116 K\n0.280075 0.250000 0.094884 K\n0.667616 0.250000 0.671207 P\n0.167616 0.250000 0.828793 P\n0.332384 0.750000 0.328793 P\n0.832385 0.750000 0.171207 P\n0.271220 0.972236 0.385528 O\n0.771220 0.527765 0.114472 O\n0.228780 0.472235 0.885528 O\n0.728780 0.027765 0.614472 O\n0.771220 0.972236 0.114472 O\n0.818550 0.250000 0.791590 O\n0.181450 0.750000 0.208410 O\n0.681450 0.750000 0.291590 O\n0.228780 0.027765 0.885528 O\n0.318550 0.250000 0.708410 O\n0.271220 0.527765 0.385528 O\n0.728780 0.472235 0.614472 O\n",
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},
{
"id": "jvasp-42855",
"created_at": "2022-09-04T14:37:06.619047Z",
"updated_at": "2022-09-04T14:37:06.619085Z",
"structure_string": "Pr6 Sb8 Au6\n1.0\n-5.078233 5.078233 5.078233\n5.078233 -5.078233 5.078233\n5.078233 5.078233 -5.078233\nPr Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.375000 Pr\n0.749999 0.875000 0.125001 Pr\n0.375000 0.250000 0.625000 Pr\n0.625000 0.375000 0.250000 Pr\n0.125001 0.749999 0.875000 Pr\n0.875000 0.125001 0.749999 Pr\n0.825226 0.500001 0.000000 Sb\n0.000000 0.825226 0.500001 Sb\n0.500001 0.000000 0.825226 Sb\n0.674774 0.674774 0.674774 Sb\n0.000000 0.325225 0.499999 Sb\n0.325225 0.499999 0.000000 Sb\n0.499999 0.000000 0.325225 Sb\n0.174773 0.174773 0.174773 Sb\n0.250000 0.125001 0.874999 Au\n0.749999 0.375000 0.625001 Au\n0.874999 0.250000 0.125001 Au\n0.125001 0.874999 0.250000 Au\n0.625001 0.749999 0.375000 Au\n0.375000 0.625001 0.749999 Au\n",
"nsites": 20,
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"formula_full": "Pr6 Sb8 Au6",
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{
"id": "jvasp-55540",
"created_at": "2022-09-04T14:37:10.604000Z",
"updated_at": "2022-09-04T14:37:10.604023Z",
"structure_string": "In2 Ag2 P4 Se12\n1.0\n3.281798 -5.684242 0.000000\n3.281798 5.684242 0.000000\n0.000000 0.000000 13.398578\nIn Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 In\n0.000000 0.000000 0.250000 In\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.335791 P\n0.666667 0.333333 0.164209 P\n0.333333 0.666667 0.664209 P\n0.333333 0.666667 0.835791 P\n0.014466 0.677123 0.616291 Se\n0.662657 0.985534 0.616291 Se\n0.322878 0.337344 0.616291 Se\n0.322878 0.985534 0.883709 Se\n0.014466 0.337344 0.883709 Se\n0.677123 0.662657 0.383709 Se\n0.985534 0.322878 0.383709 Se\n0.337344 0.014466 0.383709 Se\n0.337344 0.322878 0.116291 Se\n0.677123 0.014466 0.116291 Se\n0.662657 0.677123 0.883709 Se\n0.985534 0.662657 0.116291 Se\n",
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"density_atomic": 0.04000892531653274,
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{
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"created_at": "2022-09-04T14:37:28.392958Z",
"updated_at": "2022-09-04T14:37:28.392976Z",
"structure_string": "Mg4 Cr2 Sb2 O12\n1.0\n0.000000 5.132471 0.002029\n7.601631 0.000000 0.000000\n0.000000 -0.049838 -5.330544\nMg Cr Sb O\n4 2 2 12\ndirect\n0.481110 0.750000 0.427265 Mg\n0.518890 0.250000 0.572734 Mg\n0.998742 0.750000 0.959806 Mg\n0.001258 0.250000 0.040193 Mg\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.320544 0.570685 0.682522 O\n0.626076 0.750000 0.069644 O\n0.679456 0.070685 0.317477 O\n0.139430 0.250000 0.427656 O\n0.178994 0.929230 0.187114 O\n0.821005 0.070770 0.812885 O\n0.178994 0.570770 0.187114 O\n0.320544 0.929315 0.682522 O\n0.860569 0.750000 0.572343 O\n0.679456 0.429315 0.317477 O\n0.821005 0.429230 0.812885 O\n0.373924 0.250000 0.930355 O\n",
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"spacegroup": 11
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{
"id": "jvasp-56828",
"created_at": "2022-09-04T14:37:28.830263Z",
"updated_at": "2022-09-04T14:37:28.830288Z",
"structure_string": "K4 Mn4 Cl12\n1.0\n3.855680 0.000000 0.000000\n0.000000 8.708818 0.000000\n0.000000 0.000000 14.276347\nK Mn Cl\n4 4 12\ndirect\n0.750000 0.068710 0.675320 K\n0.250000 0.431290 0.175320 K\n0.250000 0.931290 0.324680 K\n0.750000 0.568710 0.824680 K\n0.250000 0.666622 0.556129 Mn\n0.250000 0.166621 0.943871 Mn\n0.750000 0.833379 0.056129 Mn\n0.750000 0.333379 0.443871 Mn\n0.250000 0.284810 0.791370 Cl\n0.750000 0.828878 0.493218 Cl\n0.750000 0.715190 0.208630 Cl\n0.250000 0.522326 0.398649 Cl\n0.750000 0.477674 0.601351 Cl\n0.250000 0.171123 0.506782 Cl\n0.750000 0.215190 0.291370 Cl\n0.750000 0.977674 0.898649 Cl\n0.750000 0.328878 0.006782 Cl\n0.250000 0.022326 0.101351 Cl\n0.250000 0.784810 0.708630 Cl\n0.250000 0.671123 0.993218 Cl\n",
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{
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"created_at": "2022-09-04T14:37:10.561827Z",
"updated_at": "2022-09-04T14:37:10.561853Z",
"structure_string": "Yb4 Pr2 Dy2 S12\n1.0\n0.000000 10.862447 -0.016495\n4.099566 0.000000 0.000000\n0.000000 -2.901733 -11.038038\nYb Pr Dy S\n4 2 2 12\ndirect\n0.328417 0.250000 0.414571 Yb\n0.052487 0.250000 0.649413 Yb\n0.947514 0.750001 0.350587 Yb\n0.671583 0.750001 0.585428 Yb\n0.472244 0.250000 0.818042 Pr\n0.527757 0.750001 0.181958 Pr\n0.169735 0.750001 0.030711 Dy\n0.830265 0.250000 0.969289 Dy\n0.272474 0.750001 0.727385 S\n0.700072 0.250000 0.740625 S\n0.950263 0.750001 0.105634 S\n0.049738 0.250000 0.894366 S\n0.299929 0.750001 0.259374 S\n0.403094 0.750001 0.614930 S\n0.596907 0.250000 0.385069 S\n0.629218 0.750001 0.967882 S\n0.099352 0.250000 0.429225 S\n0.370782 0.250000 0.032118 S\n0.900649 0.750001 0.570775 S\n0.727527 0.250000 0.272615 S\n",
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{
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"created_at": "2022-09-04T14:37:10.557615Z",
"updated_at": "2022-09-04T14:37:10.557627Z",
"structure_string": "Nd4 Zr4 O12\n1.0\n-5.331856 5.405462 -0.000000\n5.331856 0.000000 5.331856\n5.331856 5.405462 -0.000000\nNd Zr O\n4 4 12\ndirect\n0.993152 0.007090 0.993152 Nd\n0.499757 0.492911 0.013937 Nd\n0.013937 0.007090 0.499757 Nd\n0.993152 0.492911 0.993152 Nd\n0.501554 0.996391 0.008774 Zr\n0.494835 0.996391 0.494835 Zr\n0.494835 0.503610 0.494835 Zr\n0.008774 0.503610 0.501554 Zr\n0.875000 0.750001 0.875000 O\n0.154069 0.308138 0.595931 O\n0.418406 0.250000 0.831593 O\n0.595931 0.750001 0.154069 O\n0.831593 0.663188 0.418406 O\n0.831593 0.250000 0.418406 O\n0.125000 0.250000 0.125000 O\n0.408865 0.250000 0.408865 O\n0.154069 0.750001 0.595931 O\n0.595931 0.191862 0.154069 O\n0.841135 0.250000 0.841135 O\n0.418406 0.836813 0.831593 O\n",
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{
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"created_at": "2022-09-04T14:37:06.741974Z",
"updated_at": "2022-09-04T14:37:06.741990Z",
"structure_string": "Pr4 B4 O12\n1.0\n5.101060 0.000000 0.000000\n-0.000000 5.790404 0.000000\n0.000000 0.000000 8.195594\nPr B O\n4 4 12\ndirect\n0.750000 0.757904 0.584724 Pr\n0.250000 0.742095 0.084724 Pr\n0.750000 0.257904 0.915276 Pr\n0.250000 0.242095 0.415276 Pr\n0.750000 0.916060 0.237680 B\n0.250000 0.583939 0.737679 B\n0.750000 0.416060 0.262320 B\n0.250000 0.083940 0.762320 B\n0.250000 0.600031 0.570401 O\n0.750000 0.899968 0.070401 O\n0.516717 0.912076 0.323034 O\n0.483283 0.587923 0.823034 O\n0.983283 0.412076 0.176966 O\n0.016717 0.587923 0.823034 O\n0.483283 0.087924 0.676965 O\n0.516717 0.412076 0.176966 O\n0.750000 0.399969 0.429599 O\n0.983283 0.912076 0.323034 O\n0.016717 0.087924 0.676965 O\n0.250000 0.100031 0.929598 O\n",
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]
}