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{
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{
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"structure_string": "Ca1 Mg30 Zn1 O32\n1.0\n8.563143 0.000000 0.000000\n0.000000 8.563143 0.000000\n0.000000 0.000000 8.564972\nCa Mg Zn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253011 0.253011 0.000000 Mg\n0.253011 0.746989 0.000000 Mg\n0.746989 0.253011 0.000000 Mg\n0.746989 0.746989 0.000000 Mg\n0.250297 0.250297 0.500000 Mg\n0.250297 0.749703 0.500000 Mg\n0.749703 0.250297 0.500000 Mg\n0.749703 0.749703 0.500000 Mg\n0.000000 0.253069 0.252894 Mg\n0.000000 0.746931 0.252894 Mg\n0.500000 0.250237 0.250231 Mg\n0.500000 0.749763 0.250231 Mg\n0.000000 0.253069 0.747106 Mg\n0.000000 0.746931 0.747106 Mg\n0.500000 0.250237 0.749769 Mg\n0.500000 0.749763 0.749769 Mg\n0.253069 0.000000 0.252894 Mg\n0.250237 0.500000 0.250231 Mg\n0.746931 0.000000 0.252894 Mg\n0.749763 0.500000 0.250231 Mg\n0.253069 0.000000 0.747106 Mg\n0.250237 0.500000 0.749769 Mg\n0.746931 0.000000 0.747106 Mg\n0.749763 0.500000 0.749769 Mg\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.262449 O\n0.000000 0.500000 0.252395 O\n0.500000 0.000000 0.252395 O\n0.500000 0.500000 0.253949 O\n0.000000 0.000000 0.737551 O\n0.000000 0.500000 0.747605 O\n0.500000 0.000000 0.747605 O\n0.500000 0.500000 0.746051 O\n0.250062 0.250062 0.249575 O\n0.250062 0.749938 0.249575 O\n0.749938 0.250062 0.249575 O\n0.749938 0.749938 0.249575 O\n0.250062 0.250062 0.750425 O\n0.250062 0.749938 0.750425 O\n0.749938 0.250062 0.750425 O\n0.749938 0.749938 0.750425 O\n0.000000 0.262277 0.000000 O\n0.000000 0.737723 0.000000 O\n0.500000 0.248874 0.000000 O\n0.500000 0.751126 0.000000 O\n0.000000 0.252172 0.500000 O\n0.000000 0.747828 0.500000 O\n0.500000 0.250165 0.500000 O\n0.500000 0.749835 0.500000 O\n0.262277 0.000000 0.000000 O\n0.248874 0.500000 0.000000 O\n0.737723 0.000000 0.000000 O\n0.751126 0.500000 0.000000 O\n0.252172 0.000000 0.500000 O\n0.250165 0.500000 0.500000 O\n0.747828 0.000000 0.500000 O\n0.749835 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:44:52.947799Z",
"structure_string": "Sn2 Se2\n1.0\n2.144740 -6.006044 0.000000\n2.144740 6.006044 0.000000\n0.000000 0.000000 4.300997\nSn Se\n2 2\ndirect\n0.127194 0.872806 0.750000 Sn\n0.872806 0.127194 0.250000 Sn\n0.355413 0.644587 0.750000 Se\n0.644587 0.355413 0.250000 Se\n",
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{
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"structure_string": "Th1 Fe1 Ni4\n1.0\n2.476216 -4.288933 0.000000\n2.476216 4.288933 0.000000\n0.000000 0.000000 4.013165\nTh Fe Ni\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Th\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.000000 Ni\n0.666936 0.833468 0.500000 Ni\n0.166532 0.333064 0.500000 Ni\n0.166532 0.833468 0.500000 Ni\n",
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{
"id": "mp-1273151",
"created_at": "2022-09-04T14:44:53.070676Z",
"structure_string": "Na8 Co4 O12\n1.0\n2.643870 4.571938 -0.015547\n-2.643969 4.571995 0.015352\n1.645623 -0.000246 10.768089\nNa Co O\n8 4 12\ndirect\n0.251268 0.750854 0.251875 Na\n0.750856 0.251266 0.748125 Na\n0.000099 0.000104 0.000003 Na\n0.499925 0.499926 0.499999 Na\n0.906560 0.408660 0.251523 Na\n0.408657 0.906563 0.748474 Na\n0.592944 0.090516 0.251108 Na\n0.090514 0.592945 0.748895 Na\n0.170638 0.170642 0.499997 Co\n0.829400 0.829400 0.499998 Co\n0.668537 0.668570 0.000000 Co\n0.332117 0.332092 0.999998 Co\n0.912624 0.087614 0.402020 O\n0.419278 0.595048 0.899365 O\n0.595014 0.419241 0.100635 O\n0.087618 0.912623 0.597983 O\n0.947103 0.661793 0.100756 O\n0.461044 0.153361 0.598081 O\n0.356925 0.017453 0.099855 O\n0.847395 0.538854 0.597140 O\n0.538853 0.847393 0.402859 O\n0.017494 0.356909 0.900151 O\n0.153360 0.461041 0.401920 O\n0.661779 0.947133 0.899240 O\n",
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{
"id": "mp-1223000",
"created_at": "2022-09-04T14:44:52.892345Z",
"structure_string": "La1 Ce1 Co10\n1.0\n4.002019 0.000000 0.000000\n0.000000 4.927339 0.000000\n0.000000 0.000000 8.551308\nLa Ce Co\n1 1 10\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 Ce\n0.000000 0.500000 0.320125 Co\n0.000000 0.000000 0.843721 Co\n0.000000 0.000000 0.156279 Co\n0.000000 0.500000 0.679875 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.749716 0.247018 Co\n0.500000 0.250284 0.752982 Co\n0.500000 0.250284 0.247018 Co\n0.500000 0.749716 0.752982 Co\n",
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{
"id": "mp-775735",
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"structure_string": "Sr8 Co4 C4 O12 F20\n1.0\n8.920274 0.000000 0.000000\n0.000000 5.574408 0.000000\n0.000000 3.549355 13.312731\nSr Co C O F\n8 4 4 12 20\ndirect\n0.888386 0.691503 0.097306 Sr\n0.361530 0.691290 0.083918 Sr\n0.861530 0.308710 0.416082 Sr\n0.388386 0.308497 0.402694 Sr\n0.611614 0.691503 0.597306 Sr\n0.138470 0.691290 0.583918 Sr\n0.638470 0.308710 0.916082 Sr\n0.111614 0.308497 0.902694 Sr\n0.872176 0.191204 0.673409 Co\n0.372176 0.808796 0.826591 Co\n0.627824 0.191204 0.173409 Co\n0.127824 0.808796 0.326591 Co\n0.375893 0.179148 0.636664 C\n0.875893 0.820852 0.863336 C\n0.124107 0.179148 0.136664 C\n0.624107 0.820852 0.363336 C\n0.381080 0.410177 0.585467 O\n0.368729 0.135130 0.734260 O\n0.877286 0.996030 0.908947 O\n0.118920 0.410177 0.085467 O\n0.377286 0.003970 0.591053 O\n0.868729 0.864870 0.765740 O\n0.131271 0.135130 0.234260 O\n0.622714 0.996030 0.408947 O\n0.881080 0.589823 0.914533 O\n0.122714 0.003970 0.091053 O\n0.631271 0.864870 0.265740 O\n0.618920 0.589823 0.414533 O\n0.961192 0.671561 0.272910 F\n0.282788 0.669752 0.264236 F\n0.130283 0.471548 0.434415 F\n0.630283 0.528452 0.065585 F\n0.512297 0.916543 0.913636 F\n0.717217 0.106303 0.585810 F\n0.782788 0.330248 0.235764 F\n0.461192 0.328439 0.227090 F\n0.217217 0.893697 0.914190 F\n0.012297 0.083457 0.586364 F\n0.987703 0.916543 0.413636 F\n0.782783 0.106303 0.085810 F\n0.538808 0.671561 0.772910 F\n0.217212 0.669752 0.764236 F\n0.282783 0.893697 0.414190 F\n0.487703 0.083457 0.086364 F\n0.369717 0.471548 0.934415 F\n0.869717 0.528452 0.565585 F\n0.717212 0.330248 0.735764 F\n0.038808 0.328439 0.727090 F\n",
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{
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"structure_string": "Cs2 Mg12 Al2\n1.0\n5.165358 0.000000 0.000000\n0.000000 7.292597 0.000000\n0.000000 0.000000 11.882248\nCs Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.840057 Cs\n0.500000 0.000000 0.340057 Cs\n0.500000 0.242240 0.082778 Mg\n0.500000 0.757760 0.082778 Mg\n0.000000 0.206361 0.913662 Mg\n0.000000 0.793639 0.913662 Mg\n0.000000 0.500000 0.165285 Mg\n0.000000 0.500000 0.640652 Mg\n0.500000 0.742240 0.582778 Mg\n0.500000 0.257760 0.582778 Mg\n0.000000 0.706361 0.413662 Mg\n0.000000 0.293639 0.413662 Mg\n0.000000 0.000000 0.665285 Mg\n0.000000 0.000000 0.140652 Mg\n0.500000 0.500000 0.361129 Al\n0.500000 0.000000 0.861129 Al\n",
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{
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"structure_string": "K12 Fe4 Se12\n1.0\n13.030773 0.000000 0.000000\n0.000000 8.128930 0.000000\n0.000000 6.415054 8.348013\nK Fe Se\n12 4 12\ndirect\n0.189598 0.128768 0.582062 K\n0.079916 0.653813 0.602552 K\n0.628672 0.383956 0.477046 K\n0.371328 0.616044 0.522954 K\n0.871328 0.383956 0.977046 K\n0.579916 0.346187 0.897448 K\n0.128672 0.616044 0.022954 K\n0.920084 0.346187 0.397448 K\n0.310402 0.128768 0.082062 K\n0.420084 0.653813 0.102552 K\n0.810402 0.871232 0.417938 K\n0.689598 0.871232 0.917938 K\n0.443114 0.939531 0.651861 Fe\n0.943114 0.060469 0.848139 Fe\n0.556886 0.060469 0.348139 Fe\n0.056886 0.939531 0.151861 Fe\n0.612043 0.844432 0.625007 Se\n0.451362 0.126232 0.759590 Se\n0.827499 0.349945 0.691712 Se\n0.387957 0.155568 0.374993 Se\n0.112043 0.155568 0.874993 Se\n0.172501 0.650055 0.308288 Se\n0.548638 0.873768 0.240410 Se\n0.327499 0.650055 0.808288 Se\n0.887957 0.844432 0.125007 Se\n0.951362 0.873768 0.740410 Se\n0.048638 0.126232 0.259590 Se\n0.672501 0.349945 0.191712 Se\n",
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{
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"structure_string": "Fe4 Cu8 B4 O20\n1.0\n3.145458 0.000000 0.000000\n1.424825 9.641995 0.000000\n0.097880 0.107982 12.148340\nFe Cu B O\n4 8 4 20\ndirect\n0.938680 0.235042 0.883358 Fe\n0.083998 0.275922 0.379435 Fe\n0.056162 0.765869 0.116439 Fe\n0.009471 0.994208 0.503535 Fe\n0.934123 0.725999 0.618786 Cu\n0.996374 0.500789 0.999519 Cu\n0.549985 0.509413 0.219989 Cu\n0.485141 0.995023 0.723258 Cu\n0.434035 0.489736 0.777136 Cu\n0.524675 0.005386 0.278678 Cu\n0.498625 0.999925 0.000377 Cu\n0.493116 0.501755 0.501657 Cu\n0.037796 0.237004 0.134861 B\n0.947104 0.264986 0.634207 B\n0.961469 0.763675 0.863787 B\n0.054819 0.734052 0.366088 B\n0.489867 0.099836 0.856816 O\n0.518600 0.400764 0.354713 O\n0.507035 0.900626 0.144681 O\n0.437242 0.591642 0.644711 O\n0.049386 0.160583 0.039845 O\n0.928328 0.338866 0.535934 O\n0.946936 0.840221 0.960146 O\n0.053757 0.658030 0.462242 O\n0.960067 0.380708 0.131245 O\n0.040176 0.122068 0.632519 O\n0.045208 0.619933 0.869418 O\n0.979140 0.878218 0.367447 O\n0.611544 0.630262 0.088052 O\n0.550416 0.898577 0.577328 O\n0.387784 0.370658 0.912511 O\n0.492262 0.109172 0.422254 O\n0.122525 0.669411 0.265673 O\n0.900904 0.828017 0.762858 O\n0.877281 0.330851 0.733609 O\n0.095969 0.172770 0.236887 O\n",
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},
{
"id": "mp-1045868",
"created_at": "2022-09-04T14:44:53.098179Z",
"structure_string": "Cu10 O14\n1.0\n1.458446 -4.914852 0.000000\n1.458446 4.914852 0.000000\n0.000000 0.000000 17.879397\nCu O\n10 14\ndirect\n0.732623 0.267377 0.574611 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.267377 0.732623 0.425389 Cu\n0.267377 0.732623 0.074611 Cu\n0.732623 0.267377 0.925389 Cu\n0.531961 0.468039 0.155187 Cu\n0.468039 0.531961 0.844813 Cu\n0.468039 0.531961 0.655187 Cu\n0.531961 0.468039 0.344813 Cu\n0.358706 0.641294 0.977020 O\n0.641294 0.358706 0.022980 O\n0.641294 0.358706 0.477020 O\n0.358706 0.641294 0.522980 O\n0.841790 0.158210 0.841402 O\n0.158210 0.841790 0.158598 O\n0.158210 0.841790 0.341402 O\n0.841790 0.158210 0.658598 O\n0.082901 0.917099 0.898907 O\n0.917099 0.082901 0.101093 O\n0.917099 0.082901 0.398907 O\n0.082901 0.917099 0.601093 O\n0.546560 0.453440 0.750000 O\n0.453440 0.546560 0.250000 O\n",
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"formula_full": "Cu10 O14",
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]
}