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{
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{
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"structure_string": "Li5 Ti2 Ni3 O10\n1.0\n5.098525 0.138879 0.108235\n-1.090507 5.017185 -0.162786\n-1.575980 -2.685490 7.077493\nLi Ti Ni O\n5 2 3 10\ndirect\n0.216210 0.901087 0.395651 Li\n0.409834 0.302183 0.798070 Li\n0.500000 0.500000 0.500000 Li\n0.590166 0.697817 0.201930 Li\n0.783790 0.098913 0.604349 Li\n0.106272 0.717294 0.692789 Ti\n0.893728 0.282706 0.307211 Ti\n0.000000 0.500000 0.000000 Ni\n0.698017 0.893305 0.900015 Ni\n0.301983 0.106695 0.099985 Ni\n0.049644 0.082492 0.844064 O\n0.325085 0.695725 0.941733 O\n0.134572 0.321417 0.540723 O\n0.220766 0.488430 0.229607 O\n0.438081 0.889298 0.658018 O\n0.561919 0.110702 0.341983 O\n0.779234 0.511570 0.770393 O\n0.865428 0.678583 0.459277 O\n0.674915 0.304275 0.058267 O\n0.950356 0.917508 0.155936 O\n",
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{
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{
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{
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{
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{
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},
{
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"structure_string": "Zn4 W8 O16\n1.0\n3.202798 0.000000 0.000000\n0.000000 10.347326 0.000000\n0.000000 0.000000 10.482198\nZn W O\n4 8 16\ndirect\n0.034128 0.354968 0.750000 Zn\n0.034128 0.145032 0.250000 Zn\n0.965872 0.854968 0.750000 Zn\n0.965872 0.645032 0.250000 Zn\n0.698476 0.118579 0.926301 W\n0.698476 0.381421 0.426301 W\n0.301524 0.881421 0.426301 W\n0.698476 0.381421 0.073699 W\n0.301524 0.881421 0.073699 W\n0.698476 0.118579 0.573699 W\n0.301524 0.618579 0.573699 W\n0.301524 0.618579 0.926301 W\n0.197635 0.981969 0.611003 O\n0.802365 0.018031 0.388997 O\n0.193028 0.250000 0.500000 O\n0.802365 0.481969 0.611003 O\n0.802365 0.481969 0.888997 O\n0.562596 0.272531 0.250000 O\n0.197635 0.518031 0.388997 O\n0.437404 0.772531 0.250000 O\n0.193028 0.250000 0.000000 O\n0.806972 0.750000 0.500000 O\n0.197635 0.981969 0.888997 O\n0.437404 0.727469 0.750000 O\n0.562596 0.227469 0.750000 O\n0.806972 0.750000 0.000000 O\n0.197635 0.518031 0.111003 O\n0.802365 0.018031 0.111003 O\n",
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"formula_full": "Zn4 W8 O16",
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{
"id": "mp-18305",
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"structure_string": "Rb12 As4 Se16\n1.0\n9.842822 0.000000 0.000000\n0.000000 10.427310 0.000000\n0.000000 0.000000 11.514588\nRb As Se\n12 4 16\ndirect\n0.648473 0.921090 0.250000 Rb\n0.148473 0.578910 0.250000 Rb\n0.851527 0.421090 0.750000 Rb\n0.351527 0.078910 0.750000 Rb\n0.061850 0.805747 0.955641 Rb\n0.561850 0.694253 0.544359 Rb\n0.438150 0.305747 0.044359 Rb\n0.938150 0.194253 0.455641 Rb\n0.938150 0.194253 0.044359 Rb\n0.438150 0.305747 0.455641 Rb\n0.561850 0.694253 0.955641 Rb\n0.061850 0.805747 0.544359 Rb\n0.766369 0.976711 0.750000 As\n0.233631 0.023289 0.250000 As\n0.733631 0.476711 0.250000 As\n0.266369 0.523289 0.750000 As\n0.357041 0.972920 0.079280 Se\n0.857041 0.527080 0.420720 Se\n0.142959 0.472920 0.920720 Se\n0.642959 0.027080 0.579280 Se\n0.024004 0.910340 0.250000 Se\n0.524004 0.589660 0.250000 Se\n0.475996 0.410340 0.750000 Se\n0.975996 0.089660 0.750000 Se\n0.642959 0.027080 0.920720 Se\n0.357041 0.972920 0.420720 Se\n0.857041 0.527080 0.079280 Se\n0.142959 0.472920 0.579280 Se\n0.813358 0.755281 0.750000 Se\n0.313358 0.744719 0.750000 Se\n0.686642 0.255281 0.250000 Se\n0.186642 0.244719 0.250000 Se\n",
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"formula_full": "Rb12 As4 Se16",
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{
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"created_at": "2022-09-04T14:39:22.931142Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.088663 0.000000 0.000000\n0.000000 8.467639 0.000000\n0.000000 0.000000 10.577375\nBi S Br\n4 4 4\ndirect\n0.250000 0.883900 0.868229 Bi\n0.750000 0.116100 0.131771 Bi\n0.250000 0.383900 0.631771 Bi\n0.750000 0.616100 0.368229 Bi\n0.750000 0.829971 0.037971 S\n0.250000 0.670029 0.537971 S\n0.750000 0.329971 0.462029 S\n0.250000 0.170029 0.962029 S\n0.250000 0.973286 0.310557 Br\n0.750000 0.526714 0.810557 Br\n0.250000 0.473286 0.189443 Br\n0.750000 0.026714 0.689443 Br\n",
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],
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"formula_full": "Bi4 S4 Br4",
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{
"id": "mp-1189524",
"created_at": "2022-09-04T14:39:22.933748Z",
"structure_string": "Tb6 Ir1 Br10\n1.0\n7.412472 0.000000 0.000000\n-2.528036 8.877805 0.000000\n-1.158376 -3.376015 8.516497\nTb Ir Br\n6 1 10\ndirect\n0.976786 0.302502 0.097294 Tb\n0.023214 0.697498 0.902706 Tb\n0.631039 0.857407 0.816889 Tb\n0.368961 0.142593 0.183111 Tb\n0.124555 0.043813 0.751483 Tb\n0.875445 0.956187 0.248517 Tb\n0.000000 0.000000 0.000000 Ir\n0.550547 0.177867 0.915132 Br\n0.449453 0.822133 0.084868 Br\n0.743141 0.914949 0.540156 Br\n0.256859 0.085051 0.459844 Br\n0.088250 0.370462 0.827137 Br\n0.911750 0.629538 0.172863 Br\n0.203016 0.735422 0.644395 Br\n0.796984 0.264578 0.355605 Br\n0.635825 0.536276 0.722894 Br\n0.364175 0.463724 0.277106 Br\n",
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],
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"volume": 560.4406978804524,
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"formula_full": "Tb6 Ir1 Br10",
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},
{
"id": "mp-542819",
"created_at": "2022-09-04T14:39:22.935688Z",
"structure_string": "Cs3 B12 H12 Br1\n1.0\n5.045795 -5.316706 0.000000\n5.045795 5.316706 0.000000\n-0.556367 0.000000 7.308752\nCs B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.776411 0.943696 0.943696 B\n0.943696 0.943696 0.776411 B\n0.943696 0.776411 0.943696 B\n0.056304 0.223589 0.056304 B\n0.223589 0.056304 0.056304 B\n0.056304 0.056304 0.223589 B\n0.845993 0.116818 0.116818 B\n0.116818 0.116818 0.845993 B\n0.116818 0.845993 0.116818 B\n0.883182 0.154007 0.883182 B\n0.154007 0.883182 0.883182 B\n0.883182 0.883182 0.154007 B\n0.382815 0.095533 0.095533 H\n0.095533 0.095533 0.382815 H\n0.095533 0.382815 0.095533 H\n0.904467 0.617185 0.904467 H\n0.617185 0.904467 0.904467 H\n0.904467 0.904467 0.617185 H\n0.737062 0.200729 0.200729 H\n0.200729 0.200729 0.737062 H\n0.200729 0.737062 0.200729 H\n0.799271 0.262938 0.799271 H\n0.262938 0.799271 0.799271 H\n0.799271 0.799271 0.262938 H\n0.500000 0.500000 0.500000 Br\n",
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],
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"formula_full": "Cs3 B12 H12 Br1",
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}
]
}