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{
"id": "jvasp-58420",
"created_at": "2022-09-04T14:37:29.262479Z",
"updated_at": "2022-09-04T14:37:29.262501Z",
"structure_string": "Er3 P4 Pd7\n1.0\n3.873984 0.000000 0.972822\n1.424112 7.359931 2.528805\n0.002786 0.008944 8.188823\nEr P Pd\n3 4 7\ndirect\n0.500000 0.500000 0.500000 Er\n0.180266 0.815608 0.823860 Er\n0.819734 0.184391 0.176139 Er\n0.605959 0.107911 0.680171 P\n0.394041 0.892089 0.319828 P\n0.157810 0.433511 0.250866 P\n0.842189 0.566488 0.749133 P\n0.331597 0.412984 0.923824 Pd\n0.989340 0.234910 0.786411 Pd\n0.010660 0.765089 0.213588 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.804818 0.860103 0.530259 Pd\n0.195181 0.139896 0.469740 Pd\n0.668403 0.587016 0.076175 Pd\n",
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"structure_string": "Ti8 P6\n1.0\n6.078668 0.000000 -2.149134\n-3.039334 5.264281 -2.149134\n-0.000000 -0.000000 6.447402\nTi P\n8 6\ndirect\n0.360272 0.500000 0.000001 Ti\n0.860272 0.500000 0.000001 Ti\n0.639729 0.639728 0.639729 Ti\n0.500000 -0.000000 0.360272 Ti\n0.139728 0.139728 0.139728 Ti\n0.000000 0.860272 0.500001 Ti\n0.500000 0.000000 0.860272 Ti\n0.000000 0.360272 0.500000 Ti\n0.875000 0.125000 0.750001 P\n0.750001 0.875000 0.125001 P\n0.250000 0.625000 0.375001 P\n0.625000 0.375000 0.250001 P\n0.125000 0.750000 0.875000 P\n0.375000 0.250000 0.625000 P\n",
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{
"id": "jvasp-24624",
"created_at": "2022-09-04T14:37:18.133316Z",
"updated_at": "2022-09-04T14:37:18.133334Z",
"structure_string": "Ag3 P11\n1.0\n6.038661 0.009124 2.785980\n1.754783 6.358517 3.770995\n-0.001264 0.012239 7.598042\nAg P\n3 11\ndirect\n0.017859 0.707295 0.707293 Ag\n0.804041 0.409930 0.409930 Ag\n-0.005695 0.006200 0.006200 Ag\n0.044574 0.190103 0.190102 P\n0.051073 0.507692 0.507691 P\n0.731210 0.917346 0.917346 P\n0.531767 0.733341 0.225053 P\n0.531767 0.225054 0.733340 P\n0.508805 0.387603 0.085187 P\n0.508805 0.085186 0.387603 P\n0.272407 0.393214 0.942194 P\n0.272406 0.942195 0.393213 P\n0.265690 0.650898 0.187942 P\n0.265691 0.187942 0.650898 P\n",
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"density": 3.7852931507801086,
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"volume": 291.4233050749056,
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"formula_full": "Ag3 P11",
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{
"id": "jvasp-11816",
"created_at": "2022-09-04T14:37:28.055718Z",
"updated_at": "2022-09-04T14:37:28.055747Z",
"structure_string": "K3 Na1 Cr2 O8\n1.0\n2.918596 -5.055158 -0.000000\n2.918596 5.055158 0.000000\n0.000000 -0.000000 7.504009\nK Na Cr O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666668 0.333334 0.159065 K\n0.333334 0.666668 0.840935 K\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.722048 Cr\n0.333334 0.666668 0.277953 Cr\n0.820870 0.179132 0.801147 O\n0.820870 0.641739 0.801147 O\n0.358263 0.179131 0.801147 O\n0.179131 0.358263 0.198853 O\n0.179132 0.820870 0.198853 O\n0.641739 0.820870 0.198853 O\n0.333334 0.666668 0.496736 O\n0.666668 0.333334 0.503265 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.06322603927083523,
"volume": 221.42775605521587,
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"formula_full": "K3 Na1 Cr2 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-52490",
"created_at": "2022-09-04T14:37:06.003028Z",
"updated_at": "2022-09-04T14:37:06.003049Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n-2.751601 4.814609 2.648142\n2.647675 -4.814609 2.751431\n2.751601 4.814609 -2.648142\nZn Cu O\n2 4 8\ndirect\n0.874982 0.749999 0.624981 Zn\n0.125018 0.250000 0.375018 Zn\n0.500000 -0.000000 0.000000 Cu\n0.500000 0.499999 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000001 Cu\n0.835005 0.715506 0.214166 O\n0.501340 0.215507 0.380502 O\n0.714177 0.879178 -0.001329 O\n0.880506 0.379178 0.665001 O\n0.119494 0.620821 0.334998 O\n0.285822 0.120821 0.001328 O\n0.498660 0.784492 0.619497 O\n0.164995 0.284493 0.785833 O\n",
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"density": 6.0666403016239006,
"density_atomic": 0.09970390986346664,
"volume": 140.41575720722923,
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"formula_full": "Zn2 Cu4 O8",
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{
"id": "jvasp-12929",
"created_at": "2022-09-04T14:37:08.780478Z",
"updated_at": "2022-09-04T14:37:08.780498Z",
"structure_string": "Ag4 Pd2 Cl8\n1.0\n6.454806 0.085929 0.000000\n-1.347899 6.313088 0.000000\n-0.000000 -0.000000 8.068784\nAg Pd Cl\n4 2 8\ndirect\n0.529615 0.029615 0.750000 Ag\n0.970386 0.470385 0.250000 Ag\n0.029615 0.529615 0.750000 Ag\n0.470385 0.970385 0.250000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.189132 0.189132 0.783881 Cl\n0.310868 0.310868 0.283882 Cl\n0.689133 0.689133 0.716118 Cl\n0.810868 0.810868 0.216118 Cl\n0.266204 0.733796 0.500000 Cl\n0.233796 0.766204 0.000000 Cl\n0.766204 0.233796 0.000000 Cl\n0.733797 0.266204 0.500000 Cl\n",
"nsites": 14,
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"density_atomic": 0.04245826648485809,
"volume": 329.7355534991714,
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"formula_full": "Ag4 Pd2 Cl8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 64
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{
"id": "jvasp-52139",
"created_at": "2022-09-04T14:37:18.001765Z",
"updated_at": "2022-09-04T14:37:18.001780Z",
"structure_string": "Co5 Sb1 O8\n1.0\n5.968317 -0.083394 -0.058968\n2.911938 5.043624 -0.000000\n2.911938 1.681208 4.755174\nCo Sb O\n5 1 8\ndirect\n0.093431 0.135523 0.135522 Co\n0.500000 0.000001 0.499999 Co\n0.500001 0.500000 0.499999 Co\n0.500001 0.500000 -0.000000 Co\n0.906570 0.864478 0.864476 Co\n0.000001 0.500000 0.500000 Sb\n0.268851 0.254502 0.254501 O\n0.268852 0.722145 0.254501 O\n0.268852 0.254502 0.722144 O\n0.704393 0.265204 0.265202 O\n0.295609 0.734797 0.734796 O\n0.731150 0.745499 0.277855 O\n0.731150 0.277856 0.745498 O\n0.731150 0.745499 0.745498 O\n",
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{
"id": "jvasp-9365",
"created_at": "2022-09-04T14:37:28.090410Z",
"updated_at": "2022-09-04T14:37:28.090436Z",
"structure_string": "Ba1 Ca1 V4 O8\n1.0\n2.740067 -4.745935 0.000000\n2.740067 4.745935 0.000000\n0.000000 0.000000 7.680132\nBa Ca V O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666668 0.758400 V\n0.666668 0.333333 0.758400 V\n0.333333 0.666668 0.241600 V\n0.666668 0.333333 0.241600 V\n0.667616 0.000000 0.693836 O\n0.000000 0.667616 0.693836 O\n0.332385 0.332385 0.693836 O\n0.332385 0.000000 0.306164 O\n0.667616 0.667616 0.306164 O\n0.000000 0.332385 0.306164 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
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{
"id": "jvasp-10307",
"created_at": "2022-09-04T14:37:18.000769Z",
"updated_at": "2022-09-04T14:37:18.000790Z",
"structure_string": "Ca2 Co4 O8\n1.0\n2.908437 0.000611 0.000918\n1.452730 6.848333 0.427710\n1.451485 2.139033 7.774903\nCa Co O\n2 4 8\ndirect\n0.613977 0.908783 0.855341 Ca\n0.383695 0.058152 0.166547 Ca\n0.419849 0.369885 0.782513 Co\n0.836930 0.787017 0.531214 Co\n0.160744 0.179919 0.490668 Co\n0.577824 0.597055 0.239371 Co\n0.130165 0.423884 0.307859 O\n0.571465 0.228018 0.621123 O\n0.426209 0.738918 0.400762 O\n0.867508 0.543050 0.714026 O\n0.940963 0.189117 -0.078943 O\n0.229828 0.886208 0.646220 O\n0.056707 0.777821 0.100832 O\n0.767846 0.080724 0.375667 O\n",
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{
"id": "jvasp-10647",
"created_at": "2022-09-04T14:37:28.635830Z",
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"structure_string": "Zn2 Cr4 O8\n1.0\n5.938961 -0.003700 -0.002616\n2.966277 5.137741 -0.000000\n2.966277 1.712580 4.843909\nZn Cr O\n2 4 8\ndirect\n0.990024 0.003326 0.003325 Zn\n0.125186 0.624938 0.624938 Zn\n0.257925 0.247358 0.247358 Cr\n0.626765 0.121677 0.625778 Cr\n0.626766 0.625779 0.121676 Cr\n0.626766 0.625778 0.625778 Cr\n0.397139 0.372284 0.372284 O\n0.397139 0.372284 0.858292 O\n0.397140 0.858292 0.372284 O\n0.848906 0.383698 0.383697 O\n0.408147 0.863951 0.863951 O\n0.849370 0.408916 0.870857 O\n0.849370 0.870857 0.408916 O\n0.849370 0.870857 0.870857 O\n",
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{
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"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
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{
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"created_at": "2022-09-04T14:37:17.867995Z",
"updated_at": "2022-09-04T14:37:17.868017Z",
"structure_string": "Ba2 Al1 Cu3 O8\n1.0\n3.812190 0.000000 0.000000\n-0.000000 3.812190 0.000000\n-0.000000 0.000000 11.531375\nBa Al Cu O\n2 1 3 8\ndirect\n0.500000 0.500000 0.826192 Ba\n0.500000 0.500000 0.173812 Ba\n0.500000 0.500000 0.499999 Al\n0.000000 0.000000 0.643451 Cu\n0.000000 0.000000 0.000003 Cu\n0.000000 0.000000 0.356547 Cu\n0.500000 0.000000 0.604061 O\n0.000000 0.500000 0.604061 O\n0.000000 0.500000 0.000002 O\n0.000000 0.000000 0.818986 O\n0.500000 0.000000 0.395937 O\n0.000000 0.500000 0.395937 O\n0.000000 0.000000 0.181011 O\n0.500000 0.000000 0.000002 O\n",
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"formula_full": "Ba2 Al1 Cu3 O8",
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}
]
}