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{
"id": "mp-777569",
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"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.765920 -0.005233 -0.008788\n-0.005238 4.765833 0.008777\n-0.017116 0.017092 9.238787\nTa Cr N O\n4 2 2 10\ndirect\n0.988266 0.011739 0.343597 Ta\n0.992472 0.007538 0.672958 Ta\n0.495668 0.504331 0.166859 Ta\n0.479534 0.520463 0.830031 Ta\n0.502658 0.497370 0.499217 Cr\n0.003230 0.996779 0.999998 Cr\n0.198043 0.801956 0.833016 N\n0.803339 0.196661 0.497530 N\n0.196280 0.803721 0.497852 O\n0.204686 0.795265 0.165119 O\n0.805813 0.194186 0.168894 O\n0.805539 0.194464 0.831841 O\n0.307104 0.300121 0.327527 O\n0.699877 0.692897 0.327527 O\n0.306909 0.301253 0.668242 O\n0.698748 0.693093 0.668244 O\n0.313209 0.301372 0.000775 O\n0.698623 0.686793 0.000775 O\n",
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{
"id": "mp-774455",
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"structure_string": "Na16 P12 H12 O44\n1.0\n6.956218 0.000000 0.000000\n0.000000 11.964660 0.000000\n0.000000 0.000000 12.084976\nNa P H O\n16 12 12 44\ndirect\n0.186333 0.004226 0.191470 Na\n0.186333 0.504226 0.808530 Na\n0.209107 0.314982 0.092217 Na\n0.209107 0.814982 0.907783 Na\n0.290893 0.814982 0.407783 Na\n0.290893 0.314982 0.592217 Na\n0.313667 0.004226 0.691470 Na\n0.313667 0.504226 0.308530 Na\n0.686333 0.995774 0.308530 Na\n0.686333 0.495774 0.691470 Na\n0.709107 0.185018 0.592217 Na\n0.709107 0.685018 0.407783 Na\n0.790893 0.185018 0.092217 Na\n0.790893 0.685018 0.907783 Na\n0.813667 0.495774 0.191470 Na\n0.813667 0.995774 0.808530 Na\n0.000000 0.250000 0.338124 P\n0.000000 0.750000 0.661876 P\n0.208877 0.597158 0.063775 P\n0.208877 0.097158 0.936225 P\n0.291123 0.097158 0.436225 P\n0.291123 0.597158 0.563775 P\n0.500000 0.250000 0.838124 P\n0.500000 0.750000 0.161876 P\n0.708877 0.402842 0.436225 P\n0.708877 0.902842 0.563775 P\n0.791123 0.902842 0.063775 P\n0.791123 0.402842 0.936225 P\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.027920 0.187773 0.732330 H\n0.027920 0.687773 0.267670 H\n0.472080 0.187773 0.232330 H\n0.472080 0.687773 0.767670 H\n0.500000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.527920 0.812227 0.767670 H\n0.527920 0.312227 0.232330 H\n0.972080 0.812227 0.267670 H\n0.972080 0.312227 0.732330 H\n0.000000 0.250000 0.680150 O\n0.000000 0.750000 0.319850 O\n0.077227 0.349086 0.275075 O\n0.077227 0.849086 0.724925 O\n0.094008 0.120967 0.039573 O\n0.094008 0.620967 0.960427 O\n0.102908 0.585975 0.173787 O\n0.102908 0.085975 0.826213 O\n0.150750 0.995536 0.449827 O\n0.150750 0.495536 0.550173 O\n0.158118 0.210459 0.428035 O\n0.158118 0.710459 0.571965 O\n0.341882 0.710459 0.071965 O\n0.341882 0.210459 0.928035 O\n0.349250 0.495536 0.050173 O\n0.349250 0.995536 0.949827 O\n0.397092 0.085975 0.326213 O\n0.397092 0.585975 0.673787 O\n0.405992 0.120967 0.539573 O\n0.405992 0.620967 0.460427 O\n0.422773 0.849086 0.224925 O\n0.422773 0.349086 0.775075 O\n0.500000 0.250000 0.180150 O\n0.500000 0.750000 0.819850 O\n0.577227 0.650914 0.224925 O\n0.577227 0.150914 0.775075 O\n0.594008 0.379033 0.539573 O\n0.594008 0.879033 0.460427 O\n0.602908 0.414025 0.326213 O\n0.602908 0.914025 0.673787 O\n0.650750 0.004464 0.050173 O\n0.650750 0.504464 0.949827 O\n0.658118 0.789541 0.071965 O\n0.658118 0.289541 0.928035 O\n0.841882 0.289541 0.428035 O\n0.841882 0.789541 0.571965 O\n0.849250 0.004464 0.550173 O\n0.849250 0.504464 0.449827 O\n0.897092 0.914025 0.173787 O\n0.897092 0.414025 0.826213 O\n0.905992 0.379033 0.039573 O\n0.905992 0.879033 0.960427 O\n0.922773 0.150914 0.275075 O\n0.922773 0.650914 0.724925 O\n",
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"spacegroup": 60
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{
"id": "mp-1214355",
"created_at": "2022-09-04T14:46:42.239330Z",
"structure_string": "Ca2 Si16 O32\n1.0\n14.067002 0.000000 0.000000\n0.000000 6.754157 0.000000\n0.000000 3.623870 9.430073\nCa Si O\n2 16 32\ndirect\n0.722254 0.509269 0.637141 Ca\n0.277746 0.509269 0.137141 Ca\n0.648663 0.825754 0.053075 Si\n0.351337 0.825754 0.553075 Si\n0.872591 0.824253 0.090464 Si\n0.127409 0.824253 0.590464 Si\n0.627902 0.875068 0.352392 Si\n0.372098 0.875068 0.852392 Si\n0.471230 0.191687 0.353868 Si\n0.528770 0.191687 0.853868 Si\n0.504202 0.486156 0.039175 Si\n0.495798 0.486156 0.539175 Si\n0.996440 0.212632 0.416820 Si\n0.003560 0.212632 0.916820 Si\n0.973176 0.500463 0.602714 Si\n0.026824 0.500463 0.102714 Si\n0.854606 0.872644 0.391433 Si\n0.145394 0.872644 0.891433 Si\n0.885841 0.676404 0.540315 O\n0.114159 0.676404 0.040315 O\n0.920801 0.039969 0.983767 O\n0.079199 0.039969 0.483767 O\n0.901191 0.097268 0.383307 O\n0.098809 0.097268 0.883307 O\n0.617140 0.881935 0.191690 O\n0.382860 0.881935 0.691690 O\n0.884745 0.817377 0.253502 O\n0.115255 0.817377 0.753502 O\n0.388641 0.012651 0.408873 O\n0.611359 0.012651 0.908873 O\n0.449742 0.338885 0.187000 O\n0.550258 0.338885 0.687000 O\n0.924938 0.620738 0.071771 O\n0.075062 0.620738 0.571771 O\n0.582986 0.654120 0.466843 O\n0.417014 0.654120 0.966843 O\n0.575203 0.080462 0.365806 O\n0.424797 0.080462 0.865806 O\n0.738094 0.869744 0.407520 O\n0.261906 0.869744 0.907520 O\n0.959387 0.389554 0.773450 O\n0.040613 0.389554 0.273450 O\n0.470299 0.344725 0.445525 O\n0.529701 0.344725 0.945525 O\n0.600031 0.598470 0.067388 O\n0.399969 0.598470 0.567388 O\n0.967095 0.324906 0.528489 O\n0.032905 0.324906 0.028489 O\n0.762589 0.812868 0.048674 O\n0.237411 0.812868 0.548674 O\n",
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{
"id": "mp-1227150",
"created_at": "2022-09-04T14:46:59.738004Z",
"structure_string": "Ca4 As12 F60\n1.0\n10.302916 0.000000 0.000000\n0.000000 10.659221 0.000000\n0.000000 0.000000 11.205096\nCa As F\n4 12 60\ndirect\n0.999800 0.128297 0.871281 Ca\n0.000200 0.628297 0.628719 Ca\n0.499800 0.371703 0.128719 Ca\n0.500200 0.871703 0.371281 Ca\n0.755630 0.067003 0.156629 As\n0.244370 0.567003 0.343371 As\n0.255630 0.432997 0.843371 As\n0.744370 0.932997 0.656629 As\n0.744265 0.433035 0.843519 As\n0.255735 0.933035 0.656481 As\n0.244265 0.066965 0.156481 As\n0.755735 0.566965 0.343519 As\n0.984855 0.753107 0.989529 As\n0.015145 0.253107 0.510471 As\n0.484855 0.746893 0.010471 As\n0.515145 0.246893 0.489529 As\n0.648256 0.002815 0.268344 F\n0.351744 0.502815 0.231656 F\n0.148256 0.497185 0.731656 F\n0.851744 0.997185 0.768344 F\n0.851510 0.497413 0.732086 F\n0.148490 0.997413 0.767914 F\n0.351510 0.002587 0.267914 F\n0.648490 0.502587 0.232086 F\n0.853819 0.934175 0.167889 F\n0.146181 0.434175 0.332111 F\n0.353819 0.565825 0.832111 F\n0.646181 0.065825 0.667889 F\n0.646794 0.565972 0.832921 F\n0.353206 0.065972 0.667079 F\n0.146794 0.934028 0.167079 F\n0.853206 0.434028 0.332921 F\n0.651470 0.203207 0.148437 F\n0.348530 0.703207 0.351563 F\n0.151470 0.296793 0.851563 F\n0.848530 0.796793 0.648437 F\n0.848082 0.296885 0.851457 F\n0.151918 0.796885 0.648543 F\n0.348082 0.203115 0.148543 F\n0.651918 0.703115 0.351457 F\n0.007672 0.915368 0.952004 F\n0.992328 0.415368 0.547996 F\n0.507672 0.584632 0.047996 F\n0.492328 0.084632 0.452004 F\n0.007464 0.702212 0.837741 F\n0.992536 0.202212 0.662259 F\n0.507464 0.797788 0.162259 F\n0.492536 0.297788 0.337741 F\n0.844760 0.143720 0.266202 F\n0.155240 0.643720 0.233798 F\n0.344760 0.356280 0.733798 F\n0.655240 0.856280 0.766202 F\n0.655452 0.356257 0.733177 F\n0.344548 0.856257 0.766823 F\n0.155452 0.143743 0.266823 F\n0.844548 0.643743 0.233177 F\n0.660414 0.999026 0.044692 F\n0.339586 0.499026 0.455308 F\n0.160414 0.500974 0.955308 F\n0.839586 0.000974 0.544692 F\n0.840232 0.499704 0.955880 F\n0.159768 0.999704 0.544120 F\n0.340232 0.000296 0.044120 F\n0.659768 0.500296 0.455880 F\n0.858124 0.133703 0.042846 F\n0.141876 0.633703 0.457154 F\n0.358124 0.366297 0.957154 F\n0.641876 0.866297 0.542846 F\n0.641885 0.365920 0.956815 F\n0.358115 0.865920 0.543185 F\n0.141885 0.134080 0.043185 F\n0.858115 0.634080 0.456815 F\n0.816303 0.760246 0.977802 F\n0.183697 0.260245 0.522198 F\n0.316303 0.739754 0.022198 F\n0.683697 0.239754 0.477802 F\n",
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{
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"structure_string": "Mg4 Fe4 Si4 O16\n1.0\n-4.818199 -0.000005 -0.000009\n-0.000012 0.000005 -6.145307\n-0.000010 -10.516278 0.000009\nMg Fe Si O\n4 4 4 16\ndirect\n0.499997 0.999999 0.500000 Mg\n0.999997 0.500001 0.999999 Mg\n0.499997 0.500001 0.499998 Mg\n0.999999 0.999998 0.999999 Mg\n0.512056 0.249994 0.778267 Fe\n0.987997 0.250011 0.278240 Fe\n0.487972 0.749990 0.221766 Fe\n0.012035 0.750008 0.721751 Fe\n0.926936 0.749998 0.406522 Si\n0.573059 0.749997 0.906522 Si\n0.073060 0.249996 0.593480 Si\n0.426935 0.249999 0.093480 Si\n0.265475 0.750000 0.412932 O\n0.234520 0.750000 0.912932 O\n0.734518 0.250001 0.587067 O\n0.765476 0.249999 0.087067 O\n0.727551 0.750000 0.049092 O\n0.772443 0.750000 0.549092 O\n0.272448 0.249999 0.950904 O\n0.227547 0.250001 0.450904 O\n0.782539 0.965172 0.337972 O\n0.717453 0.534830 0.837973 O\n0.217465 0.465173 0.662025 O\n0.282532 0.034831 0.162023 O\n0.217451 0.034817 0.662022 O\n0.282543 0.465186 0.162023 O\n0.782553 0.534814 0.337975 O\n0.717444 0.965189 0.837972 O\n",
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{
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"structure_string": "Sr2 Tb1 Sb1 O6\n1.0\n0.000000 -4.207982 -4.207982\n4.207982 0.000000 -4.207982\n4.207982 -4.207982 0.000000\nSr Tb Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763073 0.236927 0.236927 O\n0.236927 0.763073 0.763073 O\n0.763073 0.236927 0.763073 O\n0.236927 0.763073 0.236927 O\n0.763073 0.763073 0.236927 O\n0.236927 0.236927 0.763073 O\n",
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{
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"structure_string": "Na9 Re3 O15\n1.0\n2.800983 -4.851445 0.000000\n2.800983 4.851445 0.000000\n0.000000 0.000000 13.819952\nNa Re O\n9 3 15\ndirect\n0.622853 0.925207 0.582002 Na\n0.302354 0.377147 0.248669 Na\n0.074793 0.697646 0.915336 Na\n0.697646 0.074793 0.084664 Na\n0.377147 0.302354 0.751331 Na\n0.925207 0.622853 0.417998 Na\n0.000000 0.720289 0.166667 Na\n0.720289 0.000000 0.833333 Na\n0.279711 0.279711 0.500000 Na\n0.000000 0.626087 0.666667 Re\n0.626087 0.000000 0.333333 Re\n0.373913 0.373913 0.000000 Re\n0.168797 0.506292 0.062820 O\n0.337495 0.831203 0.729487 O\n0.493708 0.662505 0.396154 O\n0.000000 0.304588 0.666667 O\n0.304588 0.000000 0.333333 O\n0.695412 0.695412 0.000000 O\n0.662505 0.493708 0.603846 O\n0.831203 0.337495 0.270513 O\n0.506292 0.168797 0.937180 O\n0.316683 0.155351 0.106399 O\n0.838668 0.683317 0.773065 O\n0.844649 0.161332 0.439732 O\n0.161332 0.844649 0.560268 O\n0.155351 0.316683 0.893601 O\n0.683317 0.838668 0.226935 O\n",
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