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{
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{
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{
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{
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{
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"structure_string": "Cd4 P8 Xe20 F88\n1.0\n8.771624 0.000000 0.000000\n0.000000 14.821015 0.000000\n0.000000 0.000000 17.703455\nCd P Xe F\n4 8 20 88\ndirect\n0.906794 0.176060 0.739673 Cd\n0.406794 0.323940 0.239673 Cd\n0.406794 0.823940 0.260327 Cd\n0.906794 0.676060 0.760327 Cd\n0.630289 0.035598 0.872986 P\n0.630289 0.535598 0.627014 P\n0.140606 0.519496 0.877295 P\n0.130289 0.464402 0.372986 P\n0.640606 0.980504 0.377295 P\n0.640606 0.480504 0.122705 P\n0.140606 0.019496 0.622705 P\n0.130289 0.964402 0.127014 P\n0.139193 0.483891 0.630961 Xe\n0.849170 0.287172 0.534938 Xe\n0.645172 0.489606 0.875050 Xe\n0.877362 0.741396 0.253338 Xe\n0.145172 0.510394 0.124950 Xe\n0.377362 0.758604 0.753338 Xe\n0.849170 0.787172 0.965062 Xe\n0.877362 0.241396 0.246662 Xe\n0.645172 0.989606 0.624950 Xe\n0.377362 0.258604 0.746662 Xe\n0.411969 0.232490 0.454272 Xe\n0.911969 0.767510 0.545728 Xe\n0.349170 0.212828 0.034938 Xe\n0.145172 0.010394 0.375050 Xe\n0.139193 0.983891 0.869039 Xe\n0.349170 0.712828 0.465062 Xe\n0.639193 0.516109 0.369039 Xe\n0.911969 0.267510 0.954272 Xe\n0.639193 0.016109 0.130961 Xe\n0.411969 0.732490 0.045728 Xe\n0.070782 0.611409 0.674678 F\n0.770743 0.979850 0.311563 F\n0.685532 0.582473 0.098638 F\n0.092151 0.626262 0.851459 F\n0.404615 0.210958 0.151733 F\n0.976475 0.268610 0.065152 F\n0.258344 0.437088 0.303984 F\n0.139473 0.774067 0.745548 F\n0.752694 0.616016 0.853100 F\n0.623738 0.141673 0.897071 F\n0.206832 0.862950 0.912995 F\n0.639473 0.225933 0.254452 F\n0.515145 0.017347 0.315552 F\n0.773601 0.520390 0.569300 F\n0.611254 0.748274 0.761749 F\n0.123738 0.858327 0.102929 F\n0.761827 0.937554 0.436951 F\n0.788297 0.291375 0.423712 F\n0.507548 0.477085 0.058332 F\n0.045650 0.631499 0.101250 F\n0.270743 0.520150 0.811563 F\n0.685532 0.082473 0.401362 F\n0.642651 0.431128 0.653929 F\n0.493571 0.552235 0.687781 F\n0.788297 0.791375 0.076288 F\n0.770743 0.479850 0.188437 F\n0.515145 0.517347 0.184448 F\n0.476475 0.731390 0.934848 F\n0.185532 0.917527 0.598638 F\n0.545650 0.368501 0.898750 F\n0.354185 0.228830 0.337663 F\n0.288297 0.208625 0.923712 F\n0.070782 0.111409 0.825322 F\n0.592151 0.873738 0.351459 F\n0.976475 0.768610 0.434848 F\n0.258344 0.937088 0.196016 F\n0.008786 0.990610 0.060992 F\n0.761827 0.437554 0.063049 F\n0.008786 0.490610 0.439008 F\n0.123738 0.358327 0.397071 F\n0.758344 0.062912 0.803984 F\n0.142651 0.068872 0.153929 F\n0.904615 0.289042 0.651733 F\n0.273601 0.979610 0.069300 F\n0.273601 0.479610 0.430700 F\n0.261827 0.562446 0.936951 F\n0.288297 0.708625 0.576288 F\n0.092151 0.126262 0.648541 F\n0.545650 0.868501 0.601250 F\n0.045650 0.131499 0.398750 F\n0.252694 0.883984 0.353100 F\n0.404615 0.710958 0.348267 F\n0.611254 0.248274 0.738251 F\n0.007548 0.522915 0.941668 F\n0.015145 0.482653 0.815552 F\n0.261827 0.062446 0.563049 F\n0.706832 0.637050 0.412995 F\n0.706832 0.137050 0.087005 F\n0.758344 0.562912 0.696016 F\n0.993571 0.947765 0.187781 F\n0.270743 0.020150 0.688437 F\n0.773601 0.020390 0.930700 F\n0.139473 0.274067 0.754452 F\n0.854185 0.271170 0.837663 F\n0.508786 0.509390 0.560992 F\n0.570782 0.888591 0.174678 F\n0.507548 0.977085 0.441668 F\n0.493571 0.052235 0.812219 F\n0.623738 0.641673 0.602929 F\n0.142651 0.568872 0.346071 F\n0.111254 0.751726 0.261749 F\n0.111254 0.251726 0.238251 F\n0.252694 0.383984 0.146900 F\n0.639473 0.725933 0.245548 F\n0.007548 0.022915 0.558332 F\n0.752694 0.116016 0.646900 F\n0.476475 0.231390 0.565152 F\n0.904615 0.789042 0.848267 F\n0.570782 0.388591 0.325322 F\n0.993571 0.447765 0.312219 F\n0.642651 0.931128 0.846071 F\n0.508786 0.009390 0.939008 F\n0.015145 0.982653 0.684448 F\n0.185532 0.417527 0.901362 F\n0.854185 0.771170 0.662337 F\n0.206832 0.362950 0.587005 F\n0.354185 0.728830 0.162337 F\n0.592151 0.373738 0.148541 F\n",
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"updated_at": "2021-11-28T01:38:17.704000Z",
"spacegroup": 33
},
{
"id": "mp-699485",
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"structure_string": "Al4 H48 N12 O60\n1.0\n-6.936829 6.936829 6.936829\n6.936829 -6.936829 6.936829\n6.936829 6.936829 -6.936829\nAl H N O\n4 48 12 60\ndirect\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.919134 0.621625 0.872628 H\n0.251003 0.878375 0.797508 H\n0.248997 0.046505 0.627372 H\n0.580866 0.453495 0.702492 H\n0.872628 0.919134 0.621625 H\n0.797508 0.251003 0.878375 H\n0.627372 0.248997 0.046505 H\n0.702492 0.580866 0.453495 H\n0.621625 0.872628 0.919134 H\n0.878375 0.797508 0.251003 H\n0.046505 0.627372 0.248997 H\n0.453495 0.702492 0.580866 H\n0.080866 0.378375 0.127372 H\n0.748997 0.121625 0.202492 H\n0.751003 0.953495 0.372628 H\n0.419134 0.546505 0.297508 H\n0.127372 0.080866 0.378375 H\n0.202492 0.748997 0.121625 H\n0.372628 0.751003 0.953495 H\n0.297508 0.419134 0.546505 H\n0.378375 0.127372 0.080866 H\n0.121625 0.202492 0.748997 H\n0.953495 0.372628 0.751003 H\n0.546505 0.297508 0.419134 H\n0.883065 0.647641 0.994145 H\n0.346503 0.852359 0.735424 H\n0.153497 0.888920 0.505855 H\n0.616935 0.611080 0.764576 H\n0.994145 0.883065 0.647641 H\n0.735424 0.346503 0.852359 H\n0.505855 0.153497 0.888920 H\n0.764576 0.616935 0.611080 H\n0.647641 0.994145 0.883065 H\n0.852359 0.735424 0.346503 H\n0.888920 0.505855 0.153497 H\n0.611080 0.764576 0.616935 H\n0.116935 0.352359 0.005855 H\n0.653497 0.147641 0.264576 H\n0.846503 0.111080 0.494145 H\n0.383065 0.388920 0.235424 H\n0.005855 0.116935 0.352359 H\n0.264576 0.653497 0.147641 H\n0.494145 0.846503 0.111080 H\n0.235424 0.383065 0.388920 H\n0.352359 0.005855 0.116935 H\n0.147641 0.264576 0.653497 H\n0.111080 0.494145 0.846503 H\n0.388920 0.235424 0.383065 H\n0.215335 0.965335 0.250000 N\n0.284665 0.534665 0.750000 N\n0.250000 0.215335 0.965335 N\n0.750000 0.284665 0.534665 N\n0.965335 0.250000 0.215335 N\n0.534665 0.750000 0.284665 N\n0.784665 0.034665 0.750000 N\n0.715335 0.465335 0.250000 N\n0.750000 0.784665 0.034665 N\n0.250000 0.715335 0.465335 N\n0.034665 0.750000 0.784665 N\n0.465335 0.250000 0.715335 N\n0.919357 0.598386 0.944634 O\n0.346249 0.901614 0.820971 O\n0.153751 0.974722 0.555366 O\n0.580643 0.525278 0.679029 O\n0.944634 0.919357 0.598386 O\n0.820971 0.346249 0.901614 O\n0.555366 0.153751 0.974722 O\n0.679029 0.580643 0.525278 O\n0.598386 0.944634 0.919357 O\n0.901614 0.820971 0.346249 O\n0.974722 0.555366 0.153751 O\n0.525278 0.679029 0.580643 O\n0.080643 0.401614 0.055366 O\n0.653751 0.098386 0.179029 O\n0.846249 0.025278 0.444634 O\n0.419357 0.474722 0.320971 O\n0.055366 0.080643 0.401614 O\n0.179029 0.653751 0.098386 O\n0.444634 0.846249 0.025278 O\n0.320971 0.419357 0.474722 O\n0.401614 0.055366 0.080643 O\n0.098386 0.179029 0.653751 O\n0.025278 0.444634 0.846249 O\n0.474722 0.320971 0.419357 O\n0.279773 0.933212 0.190221 O\n0.257009 0.566788 0.846560 O\n0.242991 0.089552 0.309779 O\n0.220227 0.410448 0.653440 O\n0.190221 0.279773 0.933212 O\n0.846560 0.257009 0.566788 O\n0.309779 0.242991 0.089552 O\n0.653440 0.220227 0.410448 O\n0.933212 0.190221 0.279773 O\n0.566788 0.846560 0.257009 O\n0.089552 0.309779 0.242991 O\n0.410448 0.653440 0.220227 O\n0.720227 0.066788 0.809779 O\n0.742991 0.433212 0.153440 O\n0.757009 0.910448 0.690221 O\n0.779773 0.589552 0.346560 O\n0.809779 0.720227 0.066788 O\n0.153440 0.742991 0.433212 O\n0.690221 0.757009 0.910448 O\n0.346560 0.779773 0.589552 O\n0.066788 0.809779 0.720227 O\n0.433212 0.153440 0.742991 O\n0.910448 0.690221 0.757009 O\n0.589552 0.346560 0.779773 O\n0.125986 0.875986 0.250000 O\n0.374014 0.624014 0.750000 O\n0.250000 0.125986 0.875986 O\n0.750000 0.374014 0.624014 O\n0.875986 0.250000 0.125986 O\n0.624014 0.750000 0.374014 O\n0.874014 0.124014 0.750000 O\n0.625986 0.375986 0.250000 O\n0.750000 0.874014 0.124014 O\n0.250000 0.625986 0.375986 O\n0.124014 0.750000 0.874014 O\n0.375986 0.250000 0.625986 O\n",
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],
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},
{
"id": "mp-514",
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"structure_string": "Hf2 Zn4\n1.0\n0.000000 3.677908 3.677908\n3.677908 0.000000 3.677908\n3.677908 3.677908 0.000000\nHf Zn\n2 4\ndirect\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Hf\n0.125000 0.125000 0.625000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.125000 Zn\n0.625000 0.125000 0.125000 Zn\n",
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}
]
}