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{
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{
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{
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"structure_string": "Ca1 Mn8 O13 F3\n1.0\n4.574709 0.108122 -4.792270\n0.523219 5.959170 0.356132\n5.208522 0.737873 5.372805\nCa Mn O F\n1 8 13 3\ndirect\n0.908725 0.949392 0.563389 Ca\n0.364115 0.339605 0.120969 Mn\n0.121015 0.617447 0.351365 Mn\n0.859795 0.159128 0.119063 Mn\n0.398778 0.208759 0.684755 Mn\n0.158780 0.887118 0.933497 Mn\n0.590081 0.782198 0.304180 Mn\n0.612736 0.639694 0.870258 Mn\n0.875626 0.400307 0.663691 Mn\n0.149207 0.130074 0.096256 O\n0.168602 0.599984 0.104003 O\n0.575376 0.564683 0.129800 O\n0.081456 0.602471 0.605551 O\n0.333400 0.800853 0.377519 O\n0.109531 0.146322 0.722720 O\n0.577975 0.105396 0.166742 O\n0.421802 0.891055 0.834367 O\n0.669729 0.198710 0.635400 O\n0.878505 0.853936 0.283738 O\n0.412562 0.418285 0.865849 O\n0.679910 0.656044 0.610065 O\n0.830821 0.409360 0.906379 O\n0.330744 0.311657 0.399727 F\n0.920540 0.352656 0.384417 F\n0.850191 0.855815 0.896299 F\n",
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{
"id": "mp-752405",
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"structure_string": "Dy8 Si4 O20\n1.0\n6.903461 0.000000 0.000000\n0.000000 6.753127 0.000000\n0.000000 2.499188 8.792125\nDy Si O\n8 4 20\ndirect\n0.360016 0.443003 0.873951 Dy\n0.139984 0.943003 0.873951 Dy\n0.124305 0.768802 0.529277 Dy\n0.624305 0.731198 0.470723 Dy\n0.375695 0.268802 0.529277 Dy\n0.875695 0.231198 0.470723 Dy\n0.860016 0.056997 0.126049 Dy\n0.639984 0.556997 0.126049 Dy\n0.910401 0.475112 0.799256 Si\n0.589599 0.975112 0.799256 Si\n0.410401 0.024888 0.200744 Si\n0.089599 0.524888 0.200744 Si\n0.050033 0.275820 0.872248 O\n0.716755 0.480338 0.896391 O\n0.449967 0.775820 0.872248 O\n0.072030 0.662216 0.792434 O\n0.783245 0.980338 0.896391 O\n0.863621 0.513890 0.614614 O\n0.380828 0.561004 0.613539 O\n0.427970 0.162216 0.792434 O\n0.636379 0.013890 0.614614 O\n0.119172 0.061004 0.613539 O\n0.880828 0.938996 0.386461 O\n0.363621 0.986110 0.385386 O\n0.572030 0.837784 0.207566 O\n0.619172 0.438996 0.386461 O\n0.136379 0.486110 0.385386 O\n0.216755 0.019662 0.103609 O\n0.927970 0.337784 0.207566 O\n0.550033 0.224180 0.127752 O\n0.283245 0.519662 0.103609 O\n0.949967 0.724180 0.127752 O\n",
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"spacegroup": 14
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{
"id": "mp-1197681",
"created_at": "2022-09-04T14:39:28.476633Z",
"structure_string": "H12 C24 N36\n1.0\n0.038909 0.009856 -4.170457\n0.003321 -12.758103 0.021522\n-16.922593 0.003911 0.160401\nH C N\n12 24 36\ndirect\n0.079473 0.051295 0.580061 H\n0.065466 0.175357 0.627148 H\n0.921637 0.941432 0.421260 H\n0.936086 0.817251 0.374504 H\n0.994822 0.386698 0.617684 H\n0.008566 0.604201 0.382199 H\n0.906521 0.553978 0.920550 H\n0.889473 0.680785 0.877089 H\n0.091786 0.442584 0.075712 H\n0.110965 0.318174 0.123327 H\n0.938980 0.889080 0.883780 H\n0.056176 0.103398 0.118445 H\n0.986340 0.035355 0.838083 C\n0.987535 0.170872 0.926545 C\n0.009118 0.197289 0.783808 C\n0.948927 0.346931 0.870798 C\n0.965617 0.365760 0.737257 C\n0.937339 0.534916 0.661509 C\n0.928761 0.670900 0.573619 C\n0.916078 0.865786 0.763345 C\n0.900148 0.847609 0.629369 C\n0.913107 0.818404 0.495838 C\n0.088036 0.174019 0.505653 C\n0.100609 0.143930 0.372228 C\n0.083438 0.125323 0.238483 C\n0.073043 0.320972 0.427283 C\n0.098407 0.294267 0.284504 C\n0.065080 0.456222 0.338695 C\n0.036645 0.625447 0.262736 C\n0.050904 0.645155 0.129152 C\n0.992809 0.794079 0.216984 C\n0.010672 0.821706 0.074377 C\n0.012844 0.956355 0.163300 C\n0.010938 0.318604 0.003894 C\n0.903007 0.696611 0.716490 C\n0.988195 0.674886 0.996171 C\n0.027113 0.094060 0.773282 N\n0.979968 0.067523 0.913571 N\n0.978609 0.238178 0.860052 N\n0.016257 0.262587 0.722166 N\n0.954860 0.386511 0.942652 N\n0.921689 0.409407 0.807529 N\n0.962867 0.426867 0.669649 N\n0.908782 0.593530 0.726803 N\n0.949380 0.567657 0.586223 N\n0.931806 0.711746 0.501458 N\n0.907139 0.738315 0.640052 N\n0.901093 0.761557 0.778821 N\n0.948531 0.927518 0.830460 N\n0.903213 0.910847 0.692660 N\n0.899383 0.887083 0.557634 N\n0.910925 0.861547 0.424675 N\n0.090077 0.131178 0.576835 N\n0.101289 0.104872 0.444177 N\n0.096697 0.080419 0.309161 N\n0.049279 0.063998 0.171262 N\n0.069862 0.280701 0.499608 N\n0.094323 0.253190 0.361159 N\n0.099496 0.229384 0.222436 N\n0.053128 0.424111 0.414146 N\n0.093136 0.397372 0.273642 N\n0.040070 0.564111 0.330265 N\n0.079116 0.582185 0.192205 N\n0.044429 0.606319 0.056945 N\n0.987136 0.728471 0.278369 N\n0.020473 0.753772 0.140480 N\n0.975627 0.897205 0.227947 N\n0.017237 0.924917 0.087669 N\n0.994106 0.781801 0.002144 N\n0.082148 0.362267 0.072934 N\n0.004246 0.211653 0.998621 N\n0.916762 0.633909 0.926232 N\n",
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{
"id": "mp-698793",
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"structure_string": "Ba20 Sr4 La8 Fe16 O60\n1.0\n5.973504 10.358943 0.000000\n-5.973504 10.358943 0.000000\n0.000000 0.075444 14.312750\nBa Sr La Fe O\n20 4 8 16 60\ndirect\n0.172522 0.175345 0.917922 Ba\n0.175345 0.172522 0.417922 Ba\n0.000817 0.001752 0.004583 Ba\n0.000142 0.998645 0.754372 Ba\n0.001752 0.000817 0.504583 Ba\n0.998645 0.000142 0.254372 Ba\n0.175236 0.652569 0.917439 Ba\n0.336361 0.333644 0.757439 Ba\n0.176963 0.652337 0.414223 Ba\n0.333644 0.336361 0.257439 Ba\n0.652337 0.176963 0.914223 Ba\n0.652569 0.175236 0.417439 Ba\n0.348638 0.826120 0.667342 Ba\n0.345774 0.824354 0.168334 Ba\n0.824354 0.345774 0.668334 Ba\n0.663516 0.668568 0.505274 Ba\n0.826120 0.348638 0.167342 Ba\n0.668568 0.663516 0.005274 Ba\n0.823050 0.829142 0.663676 Ba\n0.829142 0.823050 0.163676 Ba\n0.044354 0.477225 0.080373 Sr\n0.477225 0.044354 0.580373 Sr\n0.521234 0.522979 0.830440 Sr\n0.522979 0.521234 0.330440 Sr\n0.042445 0.478855 0.579587 La\n0.478855 0.042445 0.079587 La\n0.477715 0.479202 0.581235 La\n0.479202 0.477715 0.081235 La\n0.521513 0.956685 0.828494 La\n0.521940 0.957381 0.332729 La\n0.957381 0.521940 0.832729 La\n0.956685 0.521513 0.328494 La\n0.179885 0.180647 0.669866 Fe\n0.180647 0.179885 0.169866 Fe\n0.177391 0.640944 0.167389 Fe\n0.175844 0.643219 0.667856 Fe\n0.331109 0.333665 0.984544 Fe\n0.333665 0.331109 0.484544 Fe\n0.640944 0.177391 0.667389 Fe\n0.643219 0.175844 0.167856 Fe\n0.358554 0.818504 0.417214 Fe\n0.358744 0.820438 0.920029 Fe\n0.663903 0.668097 0.232846 Fe\n0.668097 0.663903 0.732846 Fe\n0.818504 0.358554 0.917214 Fe\n0.820438 0.358744 0.420029 Fe\n0.820067 0.822741 0.916212 Fe\n0.822741 0.820067 0.416212 Fe\n0.096797 0.096441 0.622431 O\n0.096441 0.096797 0.122431 O\n0.064061 0.333318 0.735776 O\n0.068254 0.327960 0.240567 O\n0.327960 0.068254 0.740567 O\n0.333318 0.064061 0.235776 O\n0.061178 0.605339 0.734942 O\n0.064350 0.607397 0.240206 O\n0.243499 0.253744 0.577436 O\n0.253744 0.243499 0.077436 O\n0.170342 0.413509 0.909759 O\n0.166165 0.416098 0.414626 O\n0.090534 0.811041 0.621224 O\n0.091827 0.808861 0.120052 O\n0.252361 0.500813 0.077490 O\n0.244506 0.504946 0.576910 O\n0.416098 0.166165 0.914626 O\n0.413509 0.170342 0.409759 O\n0.415372 0.413630 0.916602 O\n0.413630 0.415372 0.416602 O\n0.500813 0.252361 0.577490 O\n0.504946 0.244506 0.076910 O\n0.328622 0.603763 0.731623 O\n0.328593 0.604467 0.232440 O\n0.192218 0.902597 0.871027 O\n0.192068 0.901046 0.368776 O\n0.605339 0.061178 0.234942 O\n0.607397 0.064350 0.740206 O\n0.393078 0.672272 0.991129 O\n0.394270 0.671318 0.489817 O\n0.604467 0.328593 0.732440 O\n0.603763 0.328622 0.231623 O\n0.395394 0.935502 0.986258 O\n0.395035 0.933749 0.481973 O\n0.808861 0.091827 0.620052 O\n0.811041 0.090534 0.121224 O\n0.671318 0.394270 0.989817 O\n0.672272 0.393078 0.491129 O\n0.496051 0.756218 0.827880 O\n0.498221 0.754881 0.325906 O\n0.584890 0.585946 0.160003 O\n0.585946 0.584890 0.660003 O\n0.754881 0.498221 0.825906 O\n0.586970 0.829334 0.665883 O\n0.584028 0.834028 0.162356 O\n0.756218 0.496051 0.327880 O\n0.901046 0.192068 0.868776 O\n0.902597 0.192218 0.371027 O\n0.834028 0.584028 0.662356 O\n0.829334 0.586970 0.165883 O\n0.751659 0.751697 0.826843 O\n0.751697 0.751659 0.326843 O\n0.933749 0.395035 0.981973 O\n0.935502 0.395394 0.486258 O\n0.666076 0.935716 0.982614 O\n0.669426 0.935062 0.480094 O\n0.935062 0.669426 0.980094 O\n0.935716 0.666076 0.482614 O\n0.905740 0.906950 0.874037 O\n0.906950 0.905740 0.374037 O\n",
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"formula_full": "Ba20 Sr4 La8 Fe16 O60",
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{
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