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"structure_string": "Sb8 P16 O56\n1.0\n8.163915 0.000000 0.000000\n0.000000 8.183997 0.000000\n0.000000 0.000000 16.473882\nSb P O\n8 16 56\ndirect\n0.482875 0.748100 0.378211 Sb\n0.483446 0.225666 0.131945 Sb\n0.017125 0.248100 0.878211 Sb\n0.517125 0.248100 0.621789 Sb\n0.516554 0.725666 0.868055 Sb\n0.982875 0.748100 0.121789 Sb\n0.016554 0.725666 0.631945 Sb\n0.983446 0.225666 0.368055 Sb\n0.574169 0.365836 0.429810 P\n0.123371 0.344358 0.591809 P\n0.607870 0.623496 0.187225 P\n0.888622 0.129155 0.172014 P\n0.074169 0.365836 0.070190 P\n0.392130 0.123496 0.812775 P\n0.107870 0.623496 0.312775 P\n0.892130 0.123496 0.687225 P\n0.876629 0.844358 0.408191 P\n0.111378 0.629155 0.827986 P\n0.611378 0.629155 0.672014 P\n0.425831 0.865836 0.570190 P\n0.925831 0.865836 0.929810 P\n0.623371 0.344358 0.908191 P\n0.376629 0.844358 0.091809 P\n0.388622 0.129155 0.327986 P\n0.220893 0.361899 0.124219 O\n0.007947 0.468653 0.827112 O\n0.945366 0.223465 0.090714 O\n0.445366 0.223465 0.409286 O\n0.554634 0.723465 0.590714 O\n0.292261 0.595217 0.837959 O\n0.967855 0.524561 0.073788 O\n0.076854 0.648218 0.220872 O\n0.720893 0.361899 0.375781 O\n0.707739 0.095217 0.162041 O\n0.744601 0.233101 0.663992 O\n0.200143 0.775874 0.071490 O\n0.279107 0.861899 0.624219 O\n0.969170 0.875081 0.484497 O\n0.880174 0.834646 0.020407 O\n0.119826 0.334646 0.979593 O\n0.530830 0.375081 0.984497 O\n0.030830 0.375081 0.515503 O\n0.779107 0.861899 0.875781 O\n0.255399 0.733101 0.336008 O\n0.992053 0.968653 0.172888 O\n0.755399 0.733101 0.163992 O\n0.048594 0.187367 0.640841 O\n0.054634 0.723465 0.909286 O\n0.132605 0.446215 0.332879 O\n0.938979 0.237682 0.242901 O\n0.923146 0.148218 0.779128 O\n0.423146 0.148218 0.720872 O\n0.532145 0.024561 0.573788 O\n0.951406 0.687367 0.359159 O\n0.619826 0.334646 0.520407 O\n0.867395 0.946215 0.667121 O\n0.467855 0.524561 0.426212 O\n0.799857 0.275874 0.928510 O\n0.451406 0.687367 0.140841 O\n0.492053 0.968653 0.327112 O\n0.700143 0.775874 0.428510 O\n0.299857 0.275874 0.571490 O\n0.438979 0.237682 0.257099 O\n0.380174 0.834646 0.479593 O\n0.561021 0.737682 0.742901 O\n0.207739 0.095217 0.337959 O\n0.134670 0.484410 0.652881 O\n0.634670 0.484410 0.847119 O\n0.367395 0.946215 0.832879 O\n0.061021 0.737682 0.757099 O\n0.244601 0.233101 0.836008 O\n0.507947 0.468653 0.672888 O\n0.032145 0.024561 0.926212 O\n0.365330 0.984410 0.152881 O\n0.792261 0.595217 0.662041 O\n0.548594 0.187367 0.859159 O\n0.469170 0.875081 0.015503 O\n0.632605 0.446215 0.167121 O\n0.576854 0.648218 0.279128 O\n0.865330 0.984410 0.347119 O\n",
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"elements": [
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],
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"density": 3.5689084226174024,
"density_atomic": 0.07268254072104682,
"volume": 1100.6769879858402,
"volume_molar": 8.285539691179448,
"formula_full": "Sb8 P16 O56",
"formula_reduced": "SbP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 33
},
{
"id": "mp-1192637",
"created_at": "2022-09-04T14:39:08.289815Z",
"structure_string": "Cr5 Bi6 Se16\n1.0\n9.103189 3.115395 0.000000\n-9.103189 3.115395 0.000000\n0.000000 1.004669 11.525164\nCr Bi Se\n5 6 16\ndirect\n0.613579 0.814181 0.486684 Cr\n0.814181 0.613579 0.486684 Cr\n0.007019 0.403757 0.483816 Cr\n0.403757 0.007019 0.483816 Cr\n0.216925 0.216925 0.491359 Cr\n0.110391 0.444051 0.837113 Bi\n0.444051 0.110391 0.837113 Bi\n0.800001 0.800001 0.833490 Bi\n0.816860 0.485797 0.135677 Bi\n0.485797 0.816860 0.135677 Bi\n0.193354 0.193354 0.141429 Bi\n0.930379 0.126005 0.612837 Se\n0.126005 0.930379 0.612837 Se\n0.536759 0.536759 0.609297 Se\n0.319536 0.719334 0.604364 Se\n0.719334 0.319536 0.604364 Se\n0.235375 0.235375 0.889177 Se\n0.038181 0.370969 0.088939 Se\n0.370969 0.038181 0.088939 Se\n0.685537 0.089081 0.363059 Se\n0.089081 0.685537 0.363059 Se\n0.905745 0.905745 0.368321 Se\n0.298864 0.499477 0.362931 Se\n0.499477 0.298864 0.362931 Se\n0.896161 0.561174 0.883429 Se\n0.561174 0.896161 0.883429 Se\n0.704108 0.704108 0.087231 Se\n",
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"formula_full": "Cr5 Bi6 Se16",
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{
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"structure_string": "Nd1 Pt3\n1.0\n4.208141 0.000000 0.000000\n0.000000 4.208141 0.000000\n0.000000 0.000000 4.208141\nNd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
"id": "mp-1190548",
"created_at": "2022-09-04T14:39:16.351638Z",
"structure_string": "Na4 U4 O14\n1.0\n3.943349 6.590428 0.000000\n-3.943349 6.590428 0.000000\n0.000000 2.417984 6.482266\nNa U O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.741423 0.258577 0.500000 Na\n0.258577 0.741423 0.500000 Na\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.243504 0.243504 0.539148 U\n0.756496 0.756496 0.460852 U\n0.228939 0.228939 0.883575 O\n0.771061 0.771061 0.116425 O\n0.961110 0.558306 0.679741 O\n0.558306 0.961110 0.679741 O\n0.038890 0.441694 0.320259 O\n0.441694 0.038890 0.320259 O\n0.178460 0.626976 0.904025 O\n0.626976 0.178460 0.904025 O\n0.821540 0.373024 0.095975 O\n0.373024 0.821540 0.095975 O\n0.908994 0.908994 0.362633 O\n0.091006 0.091006 0.637367 O\n0.395135 0.395135 0.440679 O\n0.604865 0.604865 0.559321 O\n",
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]
}