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{
"id": "jvasp-10849",
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"structure_string": "Mg2 V4 O8\n1.0\n5.968039 0.000081 0.003492\n-2.983369 -5.167931 0.002098\n-2.980560 1.718038 -4.875857\nMg V O\n2 4 8\ndirect\n0.749999 0.874999 0.125002 Mg\n0.250002 0.125001 0.874999 Mg\n0.500000 0.000000 0.500001 V\n-0.000000 0.500000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.518870 0.259435 0.740657 O\n0.018868 0.278214 0.259441 O\n0.018884 0.740671 0.259433 O\n0.481119 0.740547 0.721794 O\n0.981116 0.259329 0.740567 O\n0.518882 0.259453 0.278207 O\n0.481130 0.740565 0.259344 O\n0.981132 0.721786 0.740559 O\n",
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{
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"structure_string": "Y2 Mg2 Mo2 S8\n1.0\n6.659063 0.000078 3.883893\n2.257337 6.174960 3.780144\n0.038953 -0.038854 7.583629\nY Mg Mo S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Y\n0.000000 0.499999 0.500001 Y\n0.874607 0.875398 0.875395 Mg\n0.125393 0.124603 0.124605 Mg\n0.500000 0.500000 -0.000001 Mo\n0.500000 0.000000 0.500000 Mo\n0.714741 0.756112 0.756114 S\n0.262515 0.241392 0.733582 S\n0.262509 0.733582 0.241393 S\n0.726965 0.243885 0.243890 S\n0.737489 0.266418 0.758607 S\n0.273035 0.756116 0.756109 S\n0.285259 0.243889 0.243885 S\n0.737486 0.758607 0.266417 S\n",
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{
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"updated_at": "2022-09-04T14:38:33.224993Z",
"structure_string": "Ca2 Ag4 O8\n1.0\n3.304738 0.000000 0.000000\n-1.652369 5.319911 0.000000\n0.000000 -0.000000 9.919954\nCa Ag O\n2 4 8\ndirect\n0.391021 0.782042 0.750000 Ca\n0.608979 0.217958 0.250000 Ca\n0.867430 0.734862 0.070232 Ag\n0.132570 0.265138 0.929767 Ag\n0.867430 0.734862 0.429768 Ag\n0.132570 0.265138 0.570232 Ag\n0.219695 0.439391 0.387220 O\n0.780305 0.560609 0.612780 O\n0.780305 0.560609 0.887220 O\n0.219695 0.439391 0.112780 O\n0.957134 0.914268 0.250000 O\n0.042866 0.085732 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
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"formula_full": "Ca2 Ag4 O8",
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{
"id": "jvasp-9827",
"created_at": "2022-09-04T14:38:33.205044Z",
"updated_at": "2022-09-04T14:38:33.205071Z",
"structure_string": "Ca2 Mo4 O8\n1.0\n5.228810 -0.000000 -2.745193\n-1.441260 5.026256 -2.745193\n0.134031 0.177864 6.607584\nCa Mo O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 -0.000000 0.499999 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.791567 0.791951 0.583136 O\n0.708816 0.208432 0.916864 O\n0.208049 0.208432 0.916864 O\n0.208433 0.208049 0.416864 O\n0.208433 0.708816 0.416865 O\n0.291184 0.791568 0.083136 O\n0.791567 0.291184 0.583136 O\n0.791951 0.791568 0.083137 O\n",
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{
"id": "jvasp-9806",
"created_at": "2022-09-04T14:38:33.199081Z",
"updated_at": "2022-09-04T14:38:33.199101Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n6.024820 -0.000000 -3.163107\n-1.660672 5.791427 -3.163107\n-0.278494 -0.369574 6.788887\nZn Bi O\n2 4 8\ndirect\n0.375001 0.625001 0.750001 Zn\n0.625000 0.375000 0.250000 Zn\n0.000000 0.000000 0.500001 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.748795 0.746401 0.497589 O\n0.748813 0.251205 0.002411 O\n0.253600 0.251205 0.002411 O\n0.251206 0.253601 0.502412 O\n0.251206 0.748814 0.502412 O\n0.251188 0.748796 0.997590 O\n0.748795 0.251187 0.497589 O\n0.746401 0.748796 0.997589 O\n",
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{
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"created_at": "2022-09-04T14:38:33.184176Z",
"updated_at": "2022-09-04T14:38:33.184196Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n6.039128 0.000000 -3.170620\n-1.664616 5.805183 -3.170620\n-0.279508 -0.370921 6.804340\nCa Sn O\n2 4 8\ndirect\n0.374999 0.625000 0.749999 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.762579 0.787882 0.525160 O\n0.762724 0.237420 0.974839 O\n0.212117 0.237420 0.974839 O\n0.237420 0.212117 0.474839 O\n0.237419 0.762723 0.474839 O\n0.237277 0.762579 0.025160 O\n0.762580 0.237277 0.525161 O\n0.787882 0.762579 0.025160 O\n",
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{
"id": "jvasp-58574",
"created_at": "2022-09-04T14:38:33.122625Z",
"updated_at": "2022-09-04T14:38:33.122660Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n3.067832 0.000000 0.000000\n-1.533916 4.897884 -0.000000\n0.000000 0.000000 10.117053\nCa Ti O\n2 4 8\ndirect\n0.379701 0.759404 0.750000 Ca\n0.620296 0.240595 0.250000 Ca\n0.875615 0.751233 0.064999 Ti\n0.124382 0.248766 0.935001 Ti\n0.875615 0.751233 0.435001 Ti\n0.124382 0.248766 0.564999 Ti\n0.232514 0.465029 0.392850 O\n0.767484 0.534970 0.607150 O\n0.767484 0.534970 0.892850 O\n0.232514 0.465029 0.107150 O\n0.939087 0.878179 0.250000 O\n0.060910 0.121820 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:33.101200Z",
"updated_at": "2022-09-04T14:38:33.101226Z",
"structure_string": "Yb2 Nd4 S8\n1.0\n6.964175 -0.000000 -2.444738\n-3.490322 6.016889 -2.468031\n0.016471 0.000000 7.380800\nYb Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Yb\n0.375000 0.250000 0.625000 Yb\n0.250000 0.628104 0.378104 Nd\n0.621897 0.371896 0.250000 Nd\n0.750001 0.871896 0.121897 Nd\n0.878104 0.128104 0.750000 Nd\n0.146889 0.144712 0.144403 S\n0.500309 0.002486 0.355597 S\n0.353111 0.497514 0.997823 S\n0.644404 0.644712 0.646890 S\n0.497823 0.997514 0.853111 S\n0.002178 0.855288 0.499691 S\n0.855598 0.502486 0.000309 S\n0.999692 0.355288 0.502178 S\n",
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{
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"structure_string": "U6 Bi8\n1.0\n7.677732 0.000000 -2.714488\n-3.838865 6.649110 -2.714488\n-0.000000 -0.000000 8.143464\nU Bi\n6 8\ndirect\n0.250000 0.625000 0.374999 U\n0.375000 0.250000 0.624999 U\n0.125000 0.750000 0.874999 U\n0.875000 0.125000 0.749999 U\n0.625000 0.375000 0.250000 U\n0.749999 0.875000 0.124999 U\n0.156959 0.156959 0.156959 Bi\n0.843040 0.500000 -0.000000 Bi\n-0.000001 0.843041 0.499999 Bi\n0.500000 0.000000 0.843040 Bi\n-0.000000 0.343041 0.500000 Bi\n0.500000 -0.000000 0.343041 Bi\n0.343041 0.500000 -0.000000 Bi\n0.656959 0.656959 0.656958 Bi\n",
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"structure_string": "Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n",
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{
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"structure_string": "Sr2 Ni8 Sn4\n1.0\n6.442073 0.024926 -2.230795\n-3.258519 5.557245 -2.230795\n-0.014216 -0.024926 6.817370\nSr Ni Sn\n2 8 4\ndirect\n0.750000 0.750000 -0.000001 Sr\n0.250000 0.250000 -0.000000 Sr\n0.526118 0.297777 0.499999 Ni\n0.026119 0.526119 0.228341 Ni\n0.297776 0.797776 0.771656 Ni\n0.797776 0.026119 0.499999 Ni\n0.202222 0.973880 0.499998 Ni\n0.973880 0.473881 0.771656 Ni\n0.473880 0.702222 0.499999 Ni\n0.702223 0.202223 0.228341 Ni\n0.839522 0.660477 0.499999 Sn\n0.660476 0.160477 0.820954 Sn\n0.339522 0.839522 0.179043 Sn\n0.160476 0.339522 0.499999 Sn\n",
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{
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]
}