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{
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{
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{
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{
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"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
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{
"id": "jvasp-86959",
"created_at": "2022-09-04T14:35:56.737181Z",
"updated_at": "2022-09-04T14:35:56.737206Z",
"structure_string": "Zr2 Tl2 Cu2 Se6\n1.0\n3.876732 0.000000 0.000000\n-1.938366 7.297894 0.000000\n0.000000 -0.000000 10.202380\nZr Tl Cu Se\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250284 0.500567 0.250000 Tl\n0.749715 0.499432 0.750000 Tl\n0.462612 0.925224 0.750000 Cu\n0.537387 0.074775 0.250000 Cu\n0.627465 0.254931 0.049293 Se\n0.372534 0.745068 0.950707 Se\n0.372534 0.745068 0.549293 Se\n0.627465 0.254931 0.450707 Se\n0.067073 0.134146 0.750000 Se\n0.932925 0.865853 0.250000 Se\n",
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"formula_full": "Zr2 Tl2 Cu2 Se6",
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{
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"created_at": "2022-09-04T14:35:56.737657Z",
"updated_at": "2022-09-04T14:35:56.737677Z",
"structure_string": "Rb2 Fe2 S4\n1.0\n0.000000 -0.000000 5.139432\n6.739853 0.000000 0.000000\n-3.369927 5.627916 -2.569715\nRb Fe S\n2 2 4\ndirect\n0.331019 0.331019 0.662039 Rb\n0.668981 0.668981 0.337961 Rb\n0.750356 0.000000 0.000000 Fe\n0.249643 0.000000 0.000000 Fe\n0.652980 0.152981 0.305962 S\n0.347019 0.847019 0.694039 S\n-0.000000 0.253802 -0.000000 S\n-0.000000 0.746198 -0.000000 S\n",
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{
"id": "jvasp-97784",
"created_at": "2022-09-04T14:35:56.740934Z",
"updated_at": "2022-09-04T14:35:56.740957Z",
"structure_string": "Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n",
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{
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{
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"structure_string": "Mg2 Sn4\n1.0\n3.385193 -0.000000 0.000000\n-1.692596 2.931663 -0.000000\n-0.000000 -0.000000 15.773928\nMg Sn\n2 4\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.666666 0.333333 0.907229 Sn\n0.666666 0.333333 0.592772 Sn\n0.333332 0.666666 0.407228 Sn\n0.333332 0.666666 0.092772 Sn\n",
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{
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}