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{
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{
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"structure_string": "K4 C4 N4\n1.0\n5.545340 0.000000 0.000000\n1.649035 5.491353 0.000000\n1.128224 1.070903 6.649611\nK C N\n4 4 4\ndirect\n0.240515 0.521744 0.759661 K\n0.656221 0.868940 0.726283 K\n0.310389 0.134818 0.299982 K\n0.724511 0.490139 0.250322 K\n0.779607 0.291534 0.829634 C\n0.992175 0.074757 0.905100 C\n0.026768 0.916119 0.083649 C\n0.891278 0.910257 0.294371 C\n0.915505 0.280653 0.644718 N\n0.133494 0.074450 0.714111 N\n0.233452 0.713725 0.142898 N\n0.096085 0.722864 0.349270 N\n",
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{
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{
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{
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"structure_string": "Mo4 S4 Cl4\n1.0\n0.000000 4.902285 4.902285\n4.902285 0.000000 4.902285\n4.902285 4.902285 0.000000\nMo S Cl\n4 4 4\ndirect\n0.350955 0.350955 0.350955 Mo\n0.350955 0.350955 0.947135 Mo\n0.350955 0.947135 0.350955 Mo\n0.947135 0.350955 0.350955 Mo\n0.116078 0.116078 0.116078 S\n0.116078 0.116078 0.651767 S\n0.116078 0.651767 0.116078 S\n0.651767 0.116078 0.116078 S\n0.617974 0.617974 0.617974 Cl\n0.617974 0.617974 0.146077 Cl\n0.617974 0.146077 0.617974 Cl\n0.146077 0.617974 0.617974 Cl\n",
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},
{
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"structure_string": "Y2 Mn4 O8\n1.0\n-2.871669 2.871669 4.931077\n2.871669 -2.871669 4.931077\n2.871669 2.871669 -4.931077\nY Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.375000 0.125000 0.750000 Mn\n0.375000 0.625000 0.250000 Mn\n0.875000 0.625000 0.250000 Mn\n0.375000 0.625000 0.750000 Mn\n0.153251 0.601591 0.856719 O\n0.744873 0.296532 0.143281 O\n0.596749 0.648409 0.643281 O\n0.005127 0.953468 0.356719 O\n0.351591 0.994873 0.948340 O\n0.046532 0.403251 0.051660 O\n0.703468 0.846749 0.448340 O\n0.398409 0.255127 0.551660 O\n",
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"elements": [
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],
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"formula_full": "Y2 Mn4 O8",
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{
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"structure_string": "Nb9 P1 O25\n1.0\n-7.963127 7.963127 1.938828\n7.963127 -7.963127 1.938828\n7.963127 7.963127 -1.938828\nNb P O\n9 1 25\ndirect\n0.891765 0.675422 0.558075 Nb\n0.117348 0.333691 0.441925 Nb\n0.666309 0.108235 0.783657 Nb\n0.116987 0.789634 0.891951 Nb\n0.774964 0.883013 0.672647 Nb\n0.210366 0.102317 0.327353 Nb\n0.897683 0.225036 0.108049 Nb\n0.000000 0.000000 0.000000 Nb\n0.324578 0.882652 0.216343 Nb\n0.750000 0.250000 0.500000 P\n0.345175 0.145333 0.510614 O\n0.165439 0.654825 0.800158 O\n0.854667 0.365282 0.199842 O\n0.634718 0.834561 0.489386 O\n0.480303 0.969532 0.385073 O\n0.904770 0.519697 0.489229 O\n0.030468 0.415541 0.510771 O\n0.584459 0.095230 0.614927 O\n0.266757 0.976733 0.267844 O\n0.001087 0.733243 0.709976 O\n0.500000 0.500000 0.000000 O\n0.622712 0.257932 0.860925 O\n0.238213 0.377288 0.635220 O\n0.742068 0.602993 0.364780 O\n0.397007 0.761787 0.139075 O\n0.948602 0.117737 0.061897 O\n0.113295 0.051398 0.169135 O\n0.882263 0.944159 0.830865 O\n0.055841 0.886705 0.938103 O\n0.798989 0.193563 0.954899 O\n0.155910 0.201011 0.394574 O\n0.806437 0.761336 0.605426 O\n0.238664 0.844090 0.045101 O\n0.708889 0.998913 0.732156 O\n0.023267 0.291111 0.290024 O\n",
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],
"chemical_system": "Nb-O-P",
"density": 4.278573293726654,
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"formula_full": "Nb9 P1 O25",
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"updated_at": "2021-11-28T01:34:29.885000Z",
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}
]
}