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{
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"structure_string": "Ba12 Sr1 Ca3 Ru8 O36\n1.0\n2.993816 -5.185441 0.000000\n2.993816 5.185441 0.000000\n0.000000 0.000000 30.204728\nBa Sr Ca Ru O\n12 1 3 8 36\ndirect\n0.333333 0.666667 0.943531 Ba\n0.333333 0.666667 0.449981 Ba\n0.666667 0.333333 0.201674 Ba\n0.666667 0.333333 0.699506 Ba\n0.666667 0.333333 0.056469 Ba\n0.666667 0.333333 0.550019 Ba\n0.333333 0.666667 0.798326 Ba\n0.333333 0.666667 0.300494 Ba\n0.000000 0.000000 0.872321 Ba\n0.000000 0.000000 0.375383 Ba\n0.000000 0.000000 0.127679 Ba\n0.000000 0.000000 0.624617 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.251296 Ca\n0.000000 0.000000 0.748704 Ca\n0.333333 0.666667 0.081880 Ru\n0.333333 0.666667 0.578567 Ru\n0.666667 0.333333 0.826502 Ru\n0.666667 0.333333 0.329297 Ru\n0.666667 0.333333 0.918120 Ru\n0.666667 0.333333 0.421433 Ru\n0.333333 0.666667 0.173498 Ru\n0.333333 0.666667 0.670703 Ru\n0.029789 0.514894 0.127900 O\n0.032262 0.516131 0.624640 O\n0.485106 0.970211 0.127900 O\n0.483869 0.967738 0.624640 O\n0.485106 0.514894 0.127900 O\n0.483869 0.516131 0.624640 O\n0.970211 0.485106 0.872100 O\n0.967738 0.483869 0.375360 O\n0.514894 0.029789 0.872100 O\n0.516131 0.032262 0.375360 O\n0.514894 0.485106 0.872100 O\n0.516131 0.483869 0.375360 O\n0.354429 0.177214 0.950444 O\n0.351897 0.175948 0.454560 O\n0.822786 0.645571 0.950444 O\n0.824052 0.648103 0.454560 O\n0.822786 0.177214 0.950444 O\n0.824052 0.175948 0.454560 O\n0.648108 0.824054 0.206385 O\n0.647551 0.823775 0.703814 O\n0.175946 0.351892 0.206385 O\n0.176225 0.352449 0.703814 O\n0.175946 0.824054 0.206385 O\n0.176225 0.823775 0.703814 O\n0.645571 0.822786 0.049556 O\n0.648103 0.824052 0.545440 O\n0.177214 0.354429 0.049556 O\n0.175948 0.351897 0.545440 O\n0.177214 0.822786 0.049556 O\n0.175948 0.824052 0.545440 O\n0.351892 0.175946 0.793615 O\n0.352449 0.176225 0.296186 O\n0.824054 0.648108 0.793615 O\n0.823775 0.647551 0.296186 O\n0.824054 0.175946 0.793615 O\n0.823775 0.176225 0.296186 O\n",
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{
"id": "mp-1215466",
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{
"id": "mp-1217448",
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"structure_string": "Th4 P6 Pb1 O24\n1.0\n6.911754 0.000000 0.000000\n-0.003866 8.228782 0.000000\n-3.408707 -1.777304 8.633250\nTh P Pb O\n4 6 1 24\ndirect\n0.754829 0.466194 0.693683 Th\n0.067121 0.035041 0.310805 Th\n0.248901 0.538986 0.302090 Th\n0.940487 0.957835 0.687202 Th\n0.094364 0.248596 0.999547 P\n0.902161 0.750486 0.997249 P\n0.598367 0.185611 0.375551 P\n0.222923 0.315285 0.624276 P\n0.400964 0.814515 0.625339 P\n0.776790 0.683620 0.374443 P\n0.571777 0.131364 0.952524 Pb\n0.728158 0.156147 0.270935 O\n0.456711 0.336713 0.724011 O\n0.270302 0.849660 0.727665 O\n0.543326 0.657286 0.282453 O\n0.727831 0.167717 0.544933 O\n0.180173 0.329952 0.453494 O\n0.277244 0.831675 0.455056 O\n0.822588 0.670853 0.547808 O\n0.549439 0.372967 0.403300 O\n0.148411 0.126969 0.600179 O\n0.452667 0.629201 0.599823 O\n0.854106 0.871774 0.401325 O\n0.238850 0.407525 0.049396 O\n0.197870 0.092753 0.947073 O\n0.763934 0.587926 0.947341 O\n0.806597 0.913994 0.046546 O\n0.395666 0.074172 0.305635 O\n0.089815 0.426655 0.694939 O\n0.600048 0.933902 0.702642 O\n0.910842 0.572094 0.305494 O\n0.889511 0.245068 0.855571 O\n0.034120 0.239949 0.141863 O\n0.096278 0.752446 0.147114 O\n0.954127 0.757968 0.851293 O\n",
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{
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{
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"structure_string": "Ba5 Nb5 O14\n1.0\n4.140743 0.000000 0.000000\n0.000000 9.298456 0.000000\n0.000000 0.021688 9.314724\nBa Nb O\n5 5 14\ndirect\n0.500000 0.900700 0.299449 Ba\n0.500000 0.099300 0.700551 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.699173 0.900306 Ba\n0.500000 0.300827 0.099694 Ba\n0.000000 0.800452 0.600149 Nb\n0.000000 0.600768 0.201528 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.199548 0.399851 Nb\n0.000000 0.399232 0.798472 Nb\n0.500000 0.597781 0.195853 O\n0.500000 0.800032 0.600266 O\n0.500000 0.000000 0.000000 O\n0.500000 0.402219 0.804147 O\n0.500000 0.199968 0.399734 O\n0.000000 0.599895 0.703143 O\n0.000000 0.699568 0.402305 O\n0.000000 0.797495 0.097920 O\n0.000000 0.096331 0.200893 O\n0.000000 0.903669 0.799107 O\n0.000000 0.000000 0.500000 O\n0.000000 0.202505 0.902080 O\n0.000000 0.400105 0.296857 O\n0.000000 0.300432 0.597695 O\n",
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{
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{
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{
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},
{
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"formula_full": "Nb6 Fe16 Si7",
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},
{
"id": "mp-1147726",
"created_at": "2022-09-04T14:48:10.646028Z",
"structure_string": "Li12 Zn3 P6 S24\n1.0\n6.140381 0.000000 0.000000\n-0.014437 8.091977 0.000000\n-0.043004 -0.042789 19.098637\nLi Zn P S\n12 3 6 24\ndirect\n0.991772 0.756317 0.106122 Li\n0.998567 0.758607 0.764449 Li\n0.490221 0.755907 0.566066 Li\n0.497014 0.745858 0.893857 Li\n0.999164 0.249538 0.110896 Li\n0.999352 0.251298 0.428032 Li\n0.496521 0.256991 0.242512 Li\n0.500001 0.243384 0.557964 Li\n0.489684 0.255989 0.894295 Li\n0.488105 0.008393 0.055052 Li\n0.990831 0.492181 0.612381 Li\n0.990852 0.505988 0.947769 Li\n0.002444 0.761148 0.435235 Zn\n0.501831 0.741170 0.236725 Zn\n0.998562 0.230045 0.764441 Zn\n0.990122 0.986723 0.272229 P\n0.012187 0.009105 0.604396 P\n0.004187 0.997915 0.938472 P\n0.504276 0.498107 0.062916 P\n0.491470 0.515828 0.396985 P\n0.485029 0.489726 0.726096 P\n0.883796 0.767212 0.228172 S\n0.892053 0.791179 0.557351 S\n0.893004 0.788849 0.889224 S\n0.393626 0.713210 0.112184 S\n0.386031 0.733761 0.442162 S\n0.388767 0.700697 0.772942 S\n0.882505 0.200276 0.229619 S\n0.897635 0.214979 0.553593 S\n0.892238 0.211353 0.887312 S\n0.395440 0.291068 0.113372 S\n0.389051 0.299053 0.437584 S\n0.382937 0.270461 0.770939 S\n0.327011 0.990510 0.261104 S\n0.338661 0.005081 0.610774 S\n0.338629 0.000202 0.936112 S\n0.839190 0.499818 0.064555 S\n0.829401 0.515419 0.401927 S\n0.830925 0.486615 0.734512 S\n0.893847 0.007127 0.039758 S\n0.882172 0.993518 0.374593 S\n0.865909 0.001858 0.703147 S\n0.372821 0.511454 0.294993 S\n0.398116 0.493067 0.622528 S\n0.393575 0.503016 0.960868 S\n",
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]
}