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{
"id": "jvasp-102245",
"created_at": "2022-09-04T14:36:43.721777Z",
"updated_at": "2022-09-04T14:36:43.721785Z",
"structure_string": "Na1 Co3 O6\n1.0\n4.832541 -0.025171 -0.681965\n-2.252459 4.111235 1.364886\n-0.005035 0.007671 5.730793\nNa Co O\n1 3 6\ndirect\n0.333345 0.166666 0.500002 Na\n0.669827 0.334915 -0.000001 Co\n0.333332 0.666666 0.000001 Co\n-0.003173 -0.001586 0.000001 Co\n0.333338 0.944955 0.172985 O\n0.002173 0.275398 0.175633 O\n0.664500 0.606566 0.175643 O\n0.664491 0.057931 0.824358 O\n0.333330 0.388381 0.827015 O\n0.002164 0.726771 0.824367 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:52.928726Z",
"structure_string": "K2 Pt1 C2\n1.0\n2.555797 -4.426771 0.000000\n2.555797 4.426771 -0.000000\n0.000000 -0.000000 5.228005\nK Pt C\n2 1 2\ndirect\n0.333334 0.666667 0.720615 K\n0.666667 0.333334 0.279384 K\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.621353 C\n0.000000 0.000000 0.378646 C\n",
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{
"id": "jvasp-5389",
"created_at": "2022-09-04T14:38:13.307766Z",
"updated_at": "2022-09-04T14:38:13.307785Z",
"structure_string": "C1 S14\n1.0\n7.264461 -0.016578 -0.587424\n-0.635510 7.236629 -0.587424\n-0.015221 -0.016578 7.288156\nC S\n1 14\ndirect\n0.500000 0.500000 0.500001 C\n0.229669 0.229669 0.841363 S\n0.841363 0.229669 0.229670 S\n0.158637 0.770331 0.770332 S\n0.770331 0.158637 0.770332 S\n0.770331 0.770331 0.158638 S\n0.309335 0.690665 0.000001 S\n0.000000 0.309335 0.690666 S\n0.690665 -0.000000 0.309335 S\n0.690665 0.309335 0.000001 S\n0.000000 0.690665 0.309336 S\n0.309335 -0.000000 0.690666 S\n0.365291 0.365291 0.365291 S\n0.634709 0.634709 0.634710 S\n0.229669 0.841363 0.229670 S\n",
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{
"id": "jvasp-110250",
"created_at": "2022-09-04T14:37:53.709592Z",
"updated_at": "2022-09-04T14:37:53.709602Z",
"structure_string": "Fe1 Ir1\n1.0\n2.523991 -0.002768 3.675646\n1.138459 2.252654 3.675646\n-0.004506 -0.002768 4.458799\nFe Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499998 0.500003 Ir\n",
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{
"id": "jvasp-46406",
"created_at": "2022-09-04T14:38:03.024781Z",
"updated_at": "2022-09-04T14:38:03.024798Z",
"structure_string": "Li8 Mn2 B4 O12\n1.0\n3.291963 0.000000 0.000000\n0.000000 7.936631 -0.000000\n0.000000 0.000000 9.293771\nLi Mn B O\n8 2 4 12\ndirect\n0.499999 0.832066 0.944944 Li\n0.000000 0.994747 0.797470 Li\n0.499999 0.494747 0.702530 Li\n0.000000 0.332066 0.555056 Li\n0.000000 0.667934 0.444944 Li\n0.499999 0.505253 0.297470 Li\n0.000000 0.005253 0.202530 Li\n0.499999 0.167934 0.055056 Li\n0.000000 0.500000 0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.499999 0.765224 0.202128 B\n0.000000 0.265224 0.297872 B\n0.499999 0.234776 0.797872 B\n0.000000 0.734776 0.702128 B\n0.000000 0.247035 0.149428 O\n0.499999 0.380987 0.884991 O\n0.000000 0.752965 0.850571 O\n0.499999 0.079932 0.862563 O\n0.000000 0.579932 0.637437 O\n0.499999 0.252965 0.649428 O\n0.000000 0.880987 0.615009 O\n0.000000 0.119013 0.384991 O\n0.499999 0.747034 0.350572 O\n0.000000 0.420068 0.362563 O\n0.499999 0.920068 0.137437 O\n0.499999 0.619013 0.115009 O\n",
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{
"id": "jvasp-14076",
"created_at": "2022-09-04T14:37:03.115921Z",
"updated_at": "2022-09-04T14:37:03.115949Z",
"structure_string": "Zr2 Al2 Pt4\n1.0\n2.270122 -3.931967 -0.000000\n2.270122 3.931967 0.000000\n-0.000000 -0.000000 8.244236\nZr Al Pt\n2 2 4\ndirect\n0.333332 0.666667 0.750000 Zr\n0.666667 0.333332 0.250000 Zr\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666667 0.333332 0.916845 Pt\n0.333332 0.666667 0.083156 Pt\n0.333332 0.666667 0.416845 Pt\n0.666667 0.333332 0.583156 Pt\n",
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"density_atomic": 0.054356378505432595,
"volume": 147.17683959023222,
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"formula_full": "Zr2 Al2 Pt4",
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{
"id": "jvasp-16379",
"created_at": "2022-09-04T14:38:29.708568Z",
"updated_at": "2022-09-04T14:38:29.708585Z",
"structure_string": "Zr2 Al2 Pt4\n1.0\n2.270122 -3.931967 0.000000\n2.270122 3.931967 -0.000000\n-0.000000 -0.000000 8.244236\nZr Al Pt\n2 2 4\ndirect\n0.333332 0.666667 0.750000 Zr\n0.666667 0.333332 0.250000 Zr\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666667 0.333332 0.916845 Pt\n0.333332 0.666667 0.083156 Pt\n0.333332 0.666667 0.416845 Pt\n0.666667 0.333332 0.583156 Pt\n",
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{
"id": "jvasp-34742",
"created_at": "2022-09-04T14:37:11.602578Z",
"updated_at": "2022-09-04T14:37:11.602605Z",
"structure_string": "Dy2 Ta2 O8\n1.0\n4.775832 0.011822 -1.766981\n-1.289744 4.795994 -1.985932\n-0.028354 -0.017119 6.526926\nDy Ta O\n2 2 8\ndirect\n0.381225 0.631223 0.762448 Dy\n0.618776 0.368776 0.237553 Dy\n0.851985 0.101984 0.703970 Ta\n0.148016 0.898015 0.296031 Ta\n0.561369 0.274895 0.562313 O\n0.791622 0.631554 0.078646 O\n0.438632 0.725104 0.437688 O\n0.712977 0.052908 0.921355 O\n0.000945 0.787417 0.562313 O\n0.287024 0.947091 0.078646 O\n0.208378 0.368445 0.921355 O\n-0.000943 0.212582 0.437688 O\n",
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{
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"created_at": "2022-09-04T14:38:37.413820Z",
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"structure_string": "Ca1 La1 Ge4 Ir4\n1.0\n4.214009 0.000000 0.000000\n0.000000 4.214009 0.000000\n0.000000 0.000000 10.523908\nCa La Ge Ir\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 La\n0.500000 0.500000 0.121353 Ge\n0.000000 0.000000 0.628104 Ge\n0.000000 0.000000 0.371896 Ge\n0.500000 0.500000 0.878647 Ge\n-0.000000 0.500000 0.247631 Ir\n0.500000 0.000000 0.752369 Ir\n0.500000 0.000000 0.247631 Ir\n-0.000000 0.500000 0.752369 Ir\n",
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{
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"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
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{
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"volume": 92.62511783673548,
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}