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{
"id": "jvasp-34822",
"created_at": "2022-09-04T14:37:10.456145Z",
"updated_at": "2022-09-04T14:37:10.456155Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n6.756427 0.000000 -0.000000\n-0.000000 6.756427 0.000000\n-0.000000 -0.000000 4.561203\nBi Pd O\n2 4 8\ndirect\n0.000000 0.500000 0.496795 Bi\n0.500000 0.000000 0.503205 Bi\n0.750000 0.750000 0.000000 Pd\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.000000 Pd\n0.278313 0.500000 0.772398 O\n0.500000 0.721688 0.227602 O\n0.000000 0.778313 0.772398 O\n0.778313 0.000000 0.227602 O\n0.221687 0.000000 0.227602 O\n0.721688 0.500000 0.772398 O\n0.500000 0.278313 0.227602 O\n0.000000 0.221687 0.772398 O\n",
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{
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"structure_string": "Ba1 Zn1 Cr4 O8\n1.0\n2.683241 -4.647510 0.000000\n2.683241 4.647510 0.000000\n-0.000000 -0.000000 7.166785\nBa Zn Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.739868 Cr\n0.666667 0.333333 0.739868 Cr\n0.333333 0.666667 0.260131 Cr\n0.666667 0.333333 0.260131 Cr\n0.317733 0.317733 0.678248 O\n0.682267 -0.000000 0.678248 O\n-0.000000 0.682267 0.678248 O\n0.682267 0.682267 0.321751 O\n-0.000000 0.317733 0.321751 O\n0.317733 -0.000000 0.321751 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "K2 Na2 S2 O8\n1.0\n2.798037 -4.846343 -0.000000\n2.798037 4.846343 0.000000\n0.000000 0.000000 7.159086\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.663776 K\n0.000000 0.000000 0.997096 K\n0.000000 0.000000 0.498401 Na\n0.666667 0.333334 0.299642 Na\n0.333334 0.666667 0.224350 S\n0.666667 0.333334 0.772350 S\n0.189106 0.378211 0.298494 O\n0.810686 0.621372 0.699206 O\n0.333334 0.666667 0.020161 O\n0.810685 0.189316 0.699206 O\n0.189106 0.810895 0.298494 O\n0.666667 0.333334 0.978127 O\n0.378629 0.189315 0.699206 O\n0.621790 0.810895 0.298494 O\n",
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"volume": 194.15794931928667,
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{
"id": "jvasp-10668",
"created_at": "2022-09-04T14:37:15.828052Z",
"updated_at": "2022-09-04T14:37:15.828070Z",
"structure_string": "Pr2 Cd6 P6\n1.0\n2.159944 -3.741133 -0.000000\n2.159944 3.741133 0.000000\n-0.000000 0.000000 21.185603\nPr Cd P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Cd\n0.666666 0.333332 0.750000 Cd\n0.666666 0.333332 0.373694 Cd\n0.333332 0.666666 0.873694 Cd\n0.333332 0.666666 0.626305 Cd\n0.666666 0.333332 0.126306 Cd\n0.666666 0.333332 0.250000 P\n0.333332 0.666666 0.750000 P\n0.666666 0.333332 0.922096 P\n0.333332 0.666666 0.422096 P\n0.333332 0.666666 0.077904 P\n0.666666 0.333332 0.577904 P\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:37:15.793172Z",
"updated_at": "2022-09-04T14:37:15.793196Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
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"volume": 230.3916514045238,
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{
"id": "jvasp-20136",
"created_at": "2022-09-04T14:37:33.457036Z",
"updated_at": "2022-09-04T14:37:33.457058Z",
"structure_string": "Yb8 Sb6\n1.0\n7.644247 -0.000000 -2.702650\n-3.822124 6.620112 -2.702650\n0.000000 0.000000 8.107949\nYb Sb\n8 6\ndirect\n0.349145 0.500000 0.000000 Yb\n0.650856 0.650855 0.650855 Yb\n0.500000 -0.000000 0.349145 Yb\n0.000000 0.349145 0.500000 Yb\n0.500000 -0.000000 0.849145 Yb\n0.000000 0.849144 0.500000 Yb\n0.849145 0.500000 0.000000 Yb\n0.150855 0.150855 0.150855 Yb\n0.750001 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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"spacegroup": 220
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{
"id": "jvasp-11038",
"created_at": "2022-09-04T14:37:15.646816Z",
"updated_at": "2022-09-04T14:37:15.646845Z",
"structure_string": "Mg2 V4 O8\n1.0\n2.909219 0.003793 0.004978\n1.444806 7.361639 -0.080396\n1.440116 1.459182 7.268615\nMg V O\n2 4 8\ndirect\n0.323947 0.206927 0.153664 Mg\n0.682367 0.825082 0.818773 Mg\n0.636296 0.565342 0.170515 V\n0.144906 0.202568 0.516128 V\n0.861402 0.829428 0.456308 V\n0.369999 0.466662 0.801917 V\n0.862395 0.615187 0.668600 O\n0.468814 0.751359 0.319486 O\n0.537491 0.280640 0.652950 O\n0.143907 0.416812 0.303833 O\n0.168983 0.688142 0.982440 O\n0.787455 0.097356 0.336225 O\n0.837327 0.343863 0.989992 O\n0.218872 0.934644 0.636214 O\n",
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{
"id": "jvasp-42698",
"created_at": "2022-09-04T14:37:15.625402Z",
"updated_at": "2022-09-04T14:37:15.625425Z",
"structure_string": "Li2 V2 P2 O8\n1.0\n4.662748 -0.000000 -0.000000\n-2.331374 1.346020 8.133496\n2.331374 -4.038058 -0.000000\nLi V P O\n2 2 2 8\ndirect\n0.002234 0.006701 0.002234 Li\n0.573270 0.719810 0.573270 Li\n0.122687 0.368061 0.122687 V\n0.452818 0.358453 0.452818 V\n0.709323 0.127971 0.709324 P\n0.866180 0.598541 0.866181 P\n0.163044 0.530047 0.535759 O\n0.039744 0.196466 0.744259 O\n0.412462 0.196466 0.039745 O\n0.647995 0.943983 0.647995 O\n0.831246 0.530047 0.163044 O\n0.535758 0.530047 0.831245 O\n0.744259 0.196466 0.412462 O\n0.927510 0.782530 0.927511 O\n",
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{
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"created_at": "2022-09-04T14:37:15.808762Z",
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"structure_string": "Ba4 Ge2 Se8\n1.0\n0.000000 7.097853 0.045375\n7.112894 0.000000 0.000000\n0.000000 -2.947405 -8.719041\nBa Ge Se\n4 2 8\ndirect\n0.717434 0.250000 0.924262 Ba\n0.282566 0.750000 0.075738 Ba\n0.782579 0.250000 0.451370 Ba\n0.217421 0.750000 0.548630 Ba\n0.792480 0.750000 0.709905 Ge\n0.207520 0.250000 0.290095 Ge\n0.011619 0.011098 0.771903 Se\n0.988381 0.511097 0.228097 Se\n0.988381 0.988902 0.228097 Se\n0.011619 0.488902 0.771903 Se\n0.627913 0.750000 0.437158 Se\n0.372087 0.250000 0.562841 Se\n0.588869 0.750000 0.871765 Se\n0.411131 0.250000 0.128235 Se\n",
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"structure_string": "Mo2 H4 O8\n1.0\n3.701450 -0.019886 -0.144190\n1.453790 6.258307 -0.170138\n0.915361 2.694504 6.664478\nMo H O\n2 4 8\ndirect\n0.224155 0.154228 0.793258 Mo\n0.775845 0.845771 0.206742 Mo\n0.522149 0.766393 0.677876 H\n0.220541 0.669353 0.838658 H\n0.779459 0.330647 0.161342 H\n0.477851 0.233606 0.322124 H\n0.252635 0.247137 0.540018 O\n0.747365 0.752862 0.459982 O\n0.252938 0.935406 0.131372 O\n0.747062 0.064593 0.868628 O\n0.114965 0.402854 0.840723 O\n0.885035 0.597145 0.159277 O\n0.364199 0.791936 0.788736 O\n0.635801 0.208063 0.211264 O\n",
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{
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"created_at": "2022-09-04T14:37:34.917967Z",
"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
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{
"id": "jvasp-10747",
"created_at": "2022-09-04T14:37:10.589553Z",
"updated_at": "2022-09-04T14:37:10.589583Z",
"structure_string": "Mg2 Co4 O8\n1.0\n5.103042 -0.000000 -2.679162\n-1.406594 4.905358 -2.679162\n-0.235083 -0.311966 5.751737\nMg Co O\n2 4 8\ndirect\n0.375001 0.625000 0.750001 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000001 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.764209 0.792439 0.528418 O\n0.764025 0.235791 0.971584 O\n0.207561 0.235791 0.971584 O\n0.235792 0.207560 0.471584 O\n0.235793 0.764025 0.471584 O\n0.235976 0.764208 0.028418 O\n0.764208 0.235975 0.528417 O\n0.792440 0.764208 0.028418 O\n",
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]
}