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{
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"structure_string": "Na8 Zr4 Fe4 Si8 O32 F4\n1.0\n9.962935 0.000000 0.000000\n0.000000 7.200040 0.000000\n0.000000 3.343060 10.294511\nNa Zr Fe Si O F\n8 4 4 8 32 4\ndirect\n0.608840 0.474792 0.305839 Na\n0.391160 0.525208 0.694161 Na\n0.108840 0.525208 0.194161 Na\n0.891160 0.474792 0.805839 Na\n0.879719 0.651151 0.428796 Na\n0.120281 0.348849 0.571204 Na\n0.379719 0.348849 0.071204 Na\n0.620281 0.651151 0.928796 Na\n0.604570 0.974579 0.295133 Zr\n0.395430 0.025421 0.704867 Zr\n0.104570 0.025421 0.204867 Zr\n0.895430 0.974579 0.795133 Zr\n0.374488 0.865426 0.056775 Fe\n0.625512 0.134574 0.943225 Fe\n0.874488 0.134574 0.443225 Fe\n0.125512 0.865426 0.556775 Fe\n0.832640 0.325675 0.121138 Si\n0.167360 0.674325 0.878862 Si\n0.332640 0.674325 0.378862 Si\n0.667360 0.325675 0.621138 Si\n0.830329 0.778585 0.123054 Si\n0.169671 0.221415 0.876946 Si\n0.330329 0.221415 0.376946 Si\n0.669671 0.778585 0.623054 Si\n0.266992 0.805922 0.238389 O\n0.733008 0.194078 0.761611 O\n0.766992 0.194078 0.261611 O\n0.233008 0.805922 0.738389 O\n0.984346 0.827606 0.151701 O\n0.015654 0.172394 0.848299 O\n0.484346 0.172394 0.348299 O\n0.515654 0.827606 0.651701 O\n0.478744 0.964039 0.887623 O\n0.521256 0.035961 0.112377 O\n0.978744 0.035961 0.612377 O\n0.021256 0.964039 0.387623 O\n0.822314 0.553645 0.119268 O\n0.177686 0.446355 0.880732 O\n0.322314 0.446355 0.380732 O\n0.677686 0.553645 0.619268 O\n0.489919 0.733557 0.382687 O\n0.510081 0.266443 0.617313 O\n0.989919 0.266443 0.117313 O\n0.010081 0.733557 0.882687 O\n0.730085 0.916030 0.482730 O\n0.269915 0.083970 0.517270 O\n0.230085 0.083970 0.017270 O\n0.769915 0.916030 0.982730 O\n0.253996 0.686174 0.003064 O\n0.746004 0.313826 0.996936 O\n0.753996 0.313826 0.496936 O\n0.246004 0.686174 0.503064 O\n0.739138 0.784539 0.246696 O\n0.260862 0.215461 0.753304 O\n0.239138 0.215461 0.253304 O\n0.760862 0.784539 0.746696 O\n0.492767 0.624931 0.113686 F\n0.507233 0.375069 0.886314 F\n0.992767 0.375069 0.386314 F\n0.007233 0.624931 0.613686 F\n",
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"formula_full": "Na8 Zr4 Fe4 Si8 O32 F4",
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"updated_at": "2021-11-28T01:36:10.987000Z",
"spacegroup": 14
},
{
"id": "mp-720670",
"created_at": "2022-09-04T14:43:01.460313Z",
"structure_string": "Na10 Zn7 Sn7 H24 S26 O12\n1.0\n11.063218 -6.382819 0.000000\n11.063218 6.382819 0.000000\n7.380711 0.000000 10.424024\nNa Zn Sn H S O\n10 7 7 24 26 12\ndirect\n0.749779 0.749779 0.749779 Na\n0.644266 0.644266 0.644266 Na\n0.650386 0.648769 0.060338 Na\n0.648769 0.060338 0.650386 Na\n0.060338 0.650386 0.648769 Na\n0.567910 0.141853 0.142727 Na\n0.141853 0.142727 0.567910 Na\n0.249732 0.249732 0.249732 Na\n0.142727 0.567910 0.141853 Na\n0.145209 0.145209 0.145209 Na\n0.924453 0.924453 0.924453 Zn\n0.923482 0.924023 0.224549 Zn\n0.924023 0.224549 0.923482 Zn\n0.224549 0.923482 0.924023 Zn\n0.740416 0.419124 0.421907 Zn\n0.421907 0.740416 0.419124 Zn\n0.419124 0.421907 0.740416 Zn\n0.749908 0.751157 0.249214 Sn\n0.751157 0.249214 0.749908 Sn\n0.249214 0.749908 0.751157 Sn\n0.762113 0.248668 0.239895 Sn\n0.426612 0.426612 0.426612 Sn\n0.239895 0.762113 0.248668 Sn\n0.248668 0.239895 0.762113 Sn\n0.923745 0.902613 0.647954 H\n0.902613 0.647954 0.923745 H\n0.923810 0.526745 0.902252 H\n0.902252 0.923810 0.526745 H\n0.647954 0.923745 0.902613 H\n0.922926 0.647458 0.526503 H\n0.899756 0.526113 0.647960 H\n0.526745 0.902252 0.923810 H\n0.647458 0.526503 0.922926 H\n0.647960 0.899756 0.526113 H\n0.526503 0.922926 0.647458 H\n0.526113 0.647960 0.899756 H\n0.421929 0.145898 0.403873 H\n0.403873 0.421929 0.145898 H\n0.423410 0.402005 0.025417 H\n0.402005 0.025417 0.423410 H\n0.145898 0.403873 0.421929 H\n0.424151 0.025866 0.147401 H\n0.404021 0.147242 0.026445 H\n0.025417 0.423410 0.402005 H\n0.147401 0.424151 0.025866 H\n0.147242 0.026445 0.404021 H\n0.025866 0.147401 0.424151 H\n0.026445 0.404021 0.147242 H\n0.999919 0.999919 0.999919 S\n0.923325 0.307380 0.714240 S\n0.714240 0.923325 0.307380 S\n0.923298 0.714799 0.056075 S\n0.804278 0.557335 0.425052 S\n0.714799 0.056075 0.923298 S\n0.805123 0.212074 0.556766 S\n0.557335 0.425052 0.804278 S\n0.307380 0.714240 0.923325 S\n0.800568 0.428090 0.213697 S\n0.425052 0.804278 0.557335 S\n0.924313 0.052353 0.307956 S\n0.556766 0.805123 0.212074 S\n0.503831 0.503831 0.503831 S\n0.428090 0.213697 0.800568 S\n0.713604 0.305121 0.055660 S\n0.212074 0.556766 0.805123 S\n0.560440 0.210864 0.421432 S\n0.056075 0.923298 0.714799 S\n0.213697 0.800568 0.428090 S\n0.421432 0.560440 0.210864 S\n0.307956 0.924313 0.052353 S\n0.210864 0.421432 0.560440 S\n0.305121 0.055660 0.713604 S\n0.052353 0.307956 0.924313 S\n0.055660 0.713604 0.305121 S\n0.879194 0.621164 0.879982 O\n0.879982 0.879194 0.621164 O\n0.882173 0.619306 0.621189 O\n0.621164 0.879982 0.879194 O\n0.621189 0.882173 0.619306 O\n0.619306 0.621189 0.882173 O\n0.379521 0.379280 0.119437 O\n0.379280 0.119437 0.379521 O\n0.119437 0.379521 0.379280 O\n0.378844 0.119691 0.120641 O\n0.119691 0.120641 0.378844 O\n0.120641 0.378844 0.119691 O\n",
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],
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"formula_full": "Na10 Zn7 Sn7 H24 S26 O12",
"formula_reduced": "Na10Zn7Sn7H24(S13O6)2",
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},
{
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"created_at": "2022-09-04T14:44:20.158708Z",
"structure_string": "Na12 Zn16 P16 H16 N4 O64\n1.0\n8.323088 0.000000 0.000000\n0.000000 10.490973 0.000000\n0.000000 0.000000 17.586826\nNa Zn P H N O\n12 16 16 16 4 64\ndirect\n0.000000 0.027648 0.250000 Na\n0.000000 0.972352 0.750000 Na\n0.012359 0.683857 0.496171 Na\n0.012359 0.316143 0.996171 Na\n0.487641 0.183857 0.496171 Na\n0.487641 0.816143 0.996171 Na\n0.500000 0.527648 0.250000 Na\n0.500000 0.472352 0.750000 Na\n0.512359 0.183857 0.003829 Na\n0.512359 0.816143 0.503829 Na\n0.987641 0.316143 0.503829 Na\n0.987641 0.683857 0.003829 Na\n0.173406 0.050641 0.425660 Zn\n0.173406 0.949359 0.925660 Zn\n0.196294 0.320250 0.162394 Zn\n0.196294 0.679750 0.662394 Zn\n0.303706 0.820250 0.162394 Zn\n0.303706 0.179750 0.662394 Zn\n0.326594 0.550641 0.425660 Zn\n0.326594 0.449359 0.925660 Zn\n0.673406 0.550641 0.074340 Zn\n0.673406 0.449359 0.574340 Zn\n0.696294 0.179750 0.837606 Zn\n0.696294 0.820250 0.337606 Zn\n0.803706 0.320250 0.337606 Zn\n0.803706 0.679750 0.837606 Zn\n0.826594 0.050641 0.074340 Zn\n0.826594 0.949359 0.574340 Zn\n0.205055 0.313890 0.342777 P\n0.205055 0.686110 0.842777 P\n0.211174 0.068946 0.080040 P\n0.211174 0.931054 0.580040 P\n0.288826 0.568946 0.080040 P\n0.288826 0.431054 0.580040 P\n0.294945 0.186110 0.842777 P\n0.294945 0.813890 0.342777 P\n0.705055 0.186110 0.657223 P\n0.705055 0.813890 0.157223 P\n0.711174 0.431054 0.919960 P\n0.711174 0.568946 0.419960 P\n0.788826 0.068946 0.419960 P\n0.788826 0.931054 0.919960 P\n0.794945 0.313890 0.157223 P\n0.794945 0.686110 0.657223 P\n0.024338 0.525586 0.296365 H\n0.024338 0.474414 0.796365 H\n0.100503 0.639588 0.239581 H\n0.100503 0.360412 0.739581 H\n0.399497 0.139588 0.239581 H\n0.399497 0.860412 0.739581 H\n0.475662 0.025586 0.296365 H\n0.475662 0.974414 0.796365 H\n0.524338 0.025586 0.203635 H\n0.524338 0.974414 0.703635 H\n0.600503 0.139588 0.260419 H\n0.600503 0.860412 0.760419 H\n0.899497 0.639588 0.260419 H\n0.899497 0.360412 0.760419 H\n0.975662 0.474414 0.703635 H\n0.975662 0.525586 0.203635 H\n0.000000 0.583094 0.250000 N\n0.000000 0.416906 0.750000 N\n0.500000 0.083094 0.250000 N\n0.500000 0.916906 0.750000 N\n0.031347 0.360802 0.361805 O\n0.031347 0.639198 0.861805 O\n0.043679 0.109740 0.050502 O\n0.043679 0.890260 0.550502 O\n0.186529 0.065192 0.838340 O\n0.186529 0.934808 0.338340 O\n0.191766 0.692359 0.098644 O\n0.191766 0.307641 0.598644 O\n0.194820 0.014208 0.652889 O\n0.194820 0.985792 0.152889 O\n0.196461 0.495712 0.016369 O\n0.196461 0.504288 0.516369 O\n0.208636 0.242964 0.264666 O\n0.208636 0.757036 0.764666 O\n0.231225 0.722441 0.405021 O\n0.231225 0.277559 0.905021 O\n0.268775 0.222441 0.405021 O\n0.268775 0.777559 0.905021 O\n0.291364 0.257036 0.764666 O\n0.291364 0.742964 0.264666 O\n0.303539 0.004288 0.516369 O\n0.303539 0.995712 0.016369 O\n0.305180 0.485792 0.152889 O\n0.305180 0.514208 0.652889 O\n0.308234 0.192359 0.098644 O\n0.308234 0.807641 0.598644 O\n0.313471 0.434808 0.338340 O\n0.313471 0.565192 0.838340 O\n0.456321 0.609740 0.050502 O\n0.456321 0.390260 0.550502 O\n0.468653 0.139198 0.861805 O\n0.468653 0.860802 0.361805 O\n0.531347 0.139198 0.638195 O\n0.531347 0.860802 0.138195 O\n0.543679 0.390260 0.949498 O\n0.543679 0.609740 0.449498 O\n0.686529 0.434808 0.161660 O\n0.686529 0.565192 0.661660 O\n0.691766 0.192359 0.401356 O\n0.691766 0.807641 0.901356 O\n0.694820 0.485792 0.347111 O\n0.694820 0.514208 0.847111 O\n0.696461 0.004288 0.983631 O\n0.696461 0.995712 0.483631 O\n0.708636 0.257036 0.735334 O\n0.708636 0.742964 0.235334 O\n0.731225 0.222441 0.094979 O\n0.731225 0.777559 0.594979 O\n0.768775 0.277559 0.594979 O\n0.768775 0.722441 0.094979 O\n0.791364 0.242964 0.235334 O\n0.791364 0.757036 0.735334 O\n0.803539 0.495712 0.483631 O\n0.803539 0.504288 0.983631 O\n0.805180 0.014208 0.847111 O\n0.805180 0.985792 0.347111 O\n0.808234 0.692359 0.401356 O\n0.808234 0.307641 0.901356 O\n0.813471 0.065192 0.661660 O\n0.813471 0.934808 0.161660 O\n0.956321 0.109740 0.449498 O\n0.956321 0.890260 0.949498 O\n0.968653 0.639198 0.638195 O\n0.968653 0.360802 0.138195 O\n",
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},
{
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