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{
"id": "jvasp-20801",
"created_at": "2022-09-04T14:37:06.363829Z",
"updated_at": "2022-09-04T14:37:06.363850Z",
"structure_string": "Cr8 Te12\n1.0\n3.435563 -5.950571 -0.000000\n3.435563 5.950571 -0.000000\n0.000000 0.000000 12.287873\nCr Te\n8 12\ndirect\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.006554 Cr\n0.666667 0.333333 0.493446 Cr\n0.333333 0.666667 0.993446 Cr\n0.333333 0.666667 0.506554 Cr\n0.667343 0.669940 0.123621 Te\n0.002597 0.669940 0.376379 Te\n0.330059 0.332656 0.376379 Te\n0.667343 0.997402 0.376379 Te\n0.997402 0.667343 0.876379 Te\n0.669940 0.667343 0.623621 Te\n0.332656 0.330059 0.876379 Te\n0.997402 0.330059 0.623621 Te\n0.330059 0.997402 0.123621 Te\n0.332657 0.002597 0.623621 Te\n0.669940 0.002597 0.876379 Te\n0.002597 0.332657 0.123621 Te\n",
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{
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"structure_string": "Fe4 Te3 Se1\n1.0\n3.625673 -0.000000 0.000000\n0.000000 6.382534 0.000000\n-0.000000 -0.000000 7.239931\nFe Te Se\n4 3 1\ndirect\n0.500000 0.008957 -0.000000 Fe\n0.500000 0.001258 0.500000 Fe\n-0.000000 0.004842 0.754220 Fe\n-0.000000 0.004842 0.245780 Fe\n-0.000000 0.287891 0.500000 Te\n0.500000 0.717915 0.753213 Te\n0.500000 0.717915 0.246787 Te\n-0.000000 0.256378 -0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:29.730592Z",
"updated_at": "2022-09-04T14:38:29.730622Z",
"structure_string": "Sm6 Ru2 O14\n1.0\n6.530169 -0.001920 0.000000\n-2.400021 6.073138 -0.000000\n-0.000000 0.000000 7.488680\nSm Ru O\n6 2 14\ndirect\n0.000000 0.000000 0.000000 Sm\n0.528510 0.085398 0.250000 Sm\n0.471491 0.914602 0.750000 Sm\n0.085398 0.528510 0.250000 Sm\n0.914602 0.471490 0.750000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.439428 0.186037 0.541401 O\n0.560573 0.813963 0.041401 O\n0.813964 0.560572 0.041401 O\n0.586098 0.586098 0.750000 O\n0.439428 0.186037 0.958598 O\n0.813964 0.560572 0.458599 O\n0.186037 0.439428 0.958598 O\n0.159360 0.896210 0.250000 O\n0.840640 0.103790 0.750000 O\n0.896210 0.159360 0.250000 O\n0.103790 0.840640 0.750000 O\n0.413903 0.413903 0.250000 O\n0.560573 0.813963 0.458599 O\n0.186037 0.439428 0.541401 O\n",
"nsites": 22,
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{
"id": "jvasp-12287",
"created_at": "2022-09-04T14:36:51.481707Z",
"updated_at": "2022-09-04T14:36:51.481737Z",
"structure_string": "Zr4 Mn4 Ge4\n1.0\n3.754457 0.000000 0.000000\n-0.000000 6.709582 0.000000\n0.000000 0.000000 7.832930\nZr Mn Ge\n4 4 4\ndirect\n0.250000 0.533808 0.680169 Zr\n0.250000 0.033808 0.819831 Zr\n0.750001 0.966191 0.180169 Zr\n0.750001 0.466192 0.319831 Zr\n0.750001 0.866143 0.563608 Mn\n0.250000 0.133857 0.436392 Mn\n0.750001 0.366143 0.936392 Mn\n0.250000 0.633856 0.063608 Mn\n0.750001 0.737061 0.876949 Ge\n0.250000 0.762939 0.376949 Ge\n0.250000 0.262939 0.123051 Ge\n0.750001 0.237061 0.623051 Ge\n",
"nsites": 12,
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{
"id": "jvasp-27654",
"created_at": "2022-09-04T14:37:18.089518Z",
"updated_at": "2022-09-04T14:37:18.089532Z",
"structure_string": "Mn6 Zn4 O16\n1.0\n2.893798 -5.012204 -0.000000\n2.893798 5.012204 -0.000000\n0.000000 -0.000000 9.318819\nMn Zn O\n6 4 16\ndirect\n0.673084 0.836542 0.754851 Mn\n0.836542 0.673084 0.254851 Mn\n0.163459 0.836542 0.754851 Mn\n0.836542 0.163459 0.254851 Mn\n0.326917 0.163458 0.254851 Mn\n0.163458 0.326917 0.754851 Mn\n0.333334 0.666667 0.078386 Zn\n0.666667 0.333334 0.578386 Zn\n0.666667 0.333334 0.967543 Zn\n0.333334 0.666667 0.467543 Zn\n0.481970 0.518031 0.637431 O\n0.963941 0.481971 0.137431 O\n0.333334 0.666667 0.862064 O\n0.000000 0.000000 0.148977 O\n0.000000 0.000000 0.648977 O\n0.518031 0.481970 0.137431 O\n0.036060 0.518030 0.637431 O\n0.157430 0.842571 0.357560 O\n0.157429 0.314860 0.357560 O\n0.314860 0.157429 0.857560 O\n0.842571 0.157430 0.857560 O\n0.481971 0.963941 0.637431 O\n0.685141 0.842571 0.357560 O\n0.842571 0.685141 0.857560 O\n0.518030 0.036060 0.137431 O\n0.666667 0.333334 0.362064 O\n",
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{
"id": "jvasp-45531",
"created_at": "2022-09-04T14:37:10.291189Z",
"updated_at": "2022-09-04T14:37:10.291203Z",
"structure_string": "Ca2 Ho2 Mn4 O12\n1.0\n5.271271 0.000000 0.000000\n0.000000 5.471409 0.000000\n0.000000 0.000000 7.500296\nCa Ho Mn O\n2 2 4 12\ndirect\n0.488504 0.697012 0.000000 Ca\n0.988503 0.302988 0.500000 Ca\n0.016563 0.184823 0.000000 Ho\n0.516563 0.815178 0.500000 Ho\n0.000635 0.745583 0.749878 Mn\n0.000635 0.745583 0.250123 Mn\n0.500635 0.254417 0.249878 Mn\n0.500635 0.254417 0.750123 Mn\n0.791747 0.039638 0.705311 O\n0.696292 0.551795 0.701140 O\n0.696292 0.551795 0.298861 O\n0.598810 0.272484 0.000000 O\n0.418784 0.223390 0.500000 O\n0.196292 0.448205 0.798861 O\n0.291747 0.960363 0.794690 O\n0.196292 0.448205 0.201140 O\n0.791747 0.039638 0.294690 O\n0.098810 0.727517 0.500000 O\n0.291747 0.960363 0.205310 O\n0.918784 0.776610 0.000000 O\n",
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"density": 6.308150169960264,
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"volume": 216.3181339500514,
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"formula_full": "Ca2 Ho2 Mn4 O12",
"formula_reduced": "CaHoMn2O6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 31
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{
"id": "jvasp-94262",
"created_at": "2022-09-04T14:36:15.586384Z",
"updated_at": "2022-09-04T14:36:15.586412Z",
"structure_string": "La2 P6\n1.0\n5.839615 -0.000000 -0.000000\n-2.919808 5.057255 0.000000\n-0.000000 0.000000 5.659130\nLa P\n2 6\ndirect\n0.666668 0.333333 0.250000 La\n0.333334 0.666668 0.750000 La\n0.863049 0.136953 0.750000 P\n0.273904 0.136953 0.750000 P\n0.863047 0.726096 0.750000 P\n0.136951 0.863048 0.250000 P\n0.726098 0.863048 0.250000 P\n0.136952 0.273903 0.250000 P\n",
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"spacegroup": 194
},
{
"id": "jvasp-57598",
"created_at": "2022-09-04T14:37:29.120385Z",
"updated_at": "2022-09-04T14:37:29.120405Z",
"structure_string": "Ba4 Ho1 Ru3 O12\n1.0\n5.660664 0.002032 8.650442\n2.580313 5.038364 8.650442\n0.003323 0.002032 10.337953\nBa Ho Ru O\n4 1 3 12\ndirect\n0.714126 0.714125 0.714128 Ba\n0.285873 0.285873 0.285874 Ba\n0.129256 0.129255 0.129256 Ba\n0.870743 0.870743 0.870746 Ba\n0.000000 0.000000 0.000000 Ho\n0.413318 0.413318 0.413319 Ru\n0.500000 0.499999 0.500001 Ru\n0.586681 0.586681 0.586683 Ru\n0.386902 0.853169 0.386903 O\n0.780974 0.307815 0.780975 O\n0.219025 0.692183 0.219026 O\n0.692184 0.219025 0.219026 O\n0.780974 0.780973 0.307817 O\n0.613097 0.146829 0.613098 O\n0.613097 0.613097 0.146830 O\n0.853170 0.386902 0.386903 O\n0.146829 0.613097 0.613098 O\n0.219025 0.219025 0.692185 O\n0.386902 0.386902 0.853171 O\n0.307815 0.780973 0.780975 O\n",
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{
"id": "jvasp-99619",
"created_at": "2022-09-04T14:36:31.265080Z",
"updated_at": "2022-09-04T14:36:31.265108Z",
"structure_string": "La2 Mn1 Fe1 Se2 O3\n1.0\n4.075725 -0.000377 0.000129\n2.038142 8.999934 1.993034\n-0.000050 -0.000063 3.986068\nLa Mn Fe Se O\n2 1 1 2 3\ndirect\n0.680101 0.639749 0.680066 La\n0.319732 0.360274 0.319759 La\n0.000066 -0.000008 0.500063 Mn\n0.500055 -0.000005 0.000061 Fe\n0.091417 0.817248 0.091408 Se\n0.908641 0.182748 0.908651 Se\n0.500072 -0.000029 0.500068 O\n0.751575 0.496760 0.251589 O\n0.248335 0.503262 0.748334 O\n",
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{
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"created_at": "2022-09-04T14:38:43.020795Z",
"updated_at": "2022-09-04T14:38:43.020816Z",
"structure_string": "Ba3 Ca1 Ta2 O9\n1.0\n5.942888 -0.000000 0.000000\n-2.971444 5.146692 0.000000\n-0.000000 -0.000000 7.333329\nBa Ca Ta O\n3 1 2 9\ndirect\n0.666667 0.333333 0.334094 Ba\n0.333334 0.666666 0.665906 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.832003 Ta\n0.333334 0.666666 0.167997 Ta\n0.176828 0.823172 0.313921 O\n0.823173 0.176827 0.686079 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n0.646346 0.823172 0.313921 O\n0.353655 0.176827 0.686079 O\n0.176827 0.353654 0.313921 O\n0.823173 0.646345 0.686079 O\n0.500000 0.000000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:15.456151Z",
"updated_at": "2022-09-04T14:36:15.456174Z",
"structure_string": "Rb4 Fe4 P8 O28\n1.0\n7.511184 0.007102 0.000000\n-2.234084 8.025736 0.000000\n0.000000 0.000000 10.055144\nRb Fe P O\n4 4 8 28\ndirect\n0.816331 0.455193 0.811058 Rb\n0.816332 0.955193 0.688942 Rb\n0.183668 0.044807 0.311058 Rb\n0.183669 0.544807 0.188942 Rb\n0.764713 0.738361 0.098530 Fe\n0.235287 0.761639 0.598530 Fe\n0.235287 0.261639 0.901470 Fe\n0.764713 0.238361 0.401470 Fe\n0.862259 0.665794 0.407469 P\n0.137741 0.834206 0.907468 P\n0.862259 0.165794 0.092531 P\n0.137741 0.334206 0.592531 P\n0.438821 0.187289 0.635721 P\n0.438821 0.687290 0.864279 P\n0.561179 0.812711 0.364279 P\n0.561179 0.312711 0.135721 P\n0.364780 0.274123 0.080591 O\n0.635219 0.225877 0.580590 O\n0.635220 0.725878 0.919409 O\n0.364781 0.774123 0.419409 O\n0.912182 0.236266 0.232638 O\n0.087818 0.263734 0.732638 O\n0.554380 0.263508 0.283235 O\n0.659021 0.687380 0.443103 O\n0.445620 0.236492 0.783235 O\n0.445620 0.736492 0.716765 O\n0.554380 0.763508 0.216764 O\n-0.004744 0.273066 0.991830 O\n0.004744 0.226935 0.491830 O\n0.004745 0.726935 0.008171 O\n-0.004743 0.773066 0.508170 O\n0.679791 0.487519 0.104714 O\n0.912182 0.736267 0.267362 O\n0.320209 0.012481 0.604714 O\n0.679791 0.987520 0.395286 O\n0.848777 0.982029 0.082949 O\n0.151224 0.517971 0.582948 O\n0.151224 0.017971 0.917051 O\n0.848776 0.482029 0.417051 O\n0.659021 0.187380 0.056897 O\n0.340979 0.312620 0.556897 O\n0.340979 0.812620 0.943103 O\n0.320209 0.512481 0.895286 O\n0.087818 0.763734 0.767362 O\n",
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{
"id": "jvasp-13157",
"created_at": "2022-09-04T14:36:51.342124Z",
"updated_at": "2022-09-04T14:36:51.342152Z",
"structure_string": "Pr8 Se6 N4\n1.0\n6.507497 -0.019315 -0.014679\n-0.021884 8.132406 2.081127\n-0.031811 -0.010454 8.394431\nPr Se N\n8 6 4\ndirect\n0.969724 0.308248 0.942716 Pr\n0.030277 0.691754 0.057284 Pr\n0.469724 0.942717 0.308247 Pr\n0.929947 0.745102 0.584272 Pr\n0.570055 0.415728 0.254899 Pr\n0.070055 0.254900 0.415728 Pr\n0.429946 0.584273 0.745100 Pr\n0.530277 0.057284 0.691753 Pr\n0.465392 0.245453 0.984194 Se\n0.250001 0.596318 0.403683 Se\n0.534609 0.754549 0.015806 Se\n0.750001 0.403684 0.596317 Se\n0.965392 0.984195 0.245452 Se\n0.034609 0.015806 0.754548 Se\n0.914904 0.418336 0.170461 N\n0.414904 0.170462 0.418335 N\n0.085097 0.581665 0.829539 N\n0.585097 0.829540 0.581665 N\n",
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}
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}