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{
"id": "mp-764857",
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"structure_string": "Li16 Ni16 S24 O96\n1.0\n8.567756 0.000000 0.000000\n0.000000 8.672550 0.000000\n0.000000 0.000000 23.749738\nLi Ni S O\n16 16 24 96\ndirect\n0.037063 0.622510 0.290618 Li\n0.037063 0.877490 0.790618 Li\n0.146236 0.931348 0.009060 Li\n0.146236 0.568652 0.509060 Li\n0.353764 0.068652 0.509060 Li\n0.353764 0.431348 0.009060 Li\n0.462937 0.122510 0.290618 Li\n0.462937 0.377490 0.790618 Li\n0.537063 0.622510 0.209382 Li\n0.537063 0.877490 0.709382 Li\n0.646236 0.568652 0.990940 Li\n0.646236 0.931348 0.490940 Li\n0.853764 0.431348 0.490940 Li\n0.853764 0.068652 0.990940 Li\n0.962937 0.122510 0.209382 Li\n0.962937 0.377490 0.709382 Li\n0.004946 0.399660 0.062905 Ni\n0.004946 0.100340 0.562905 Ni\n0.998068 0.796954 0.179116 Ni\n0.998068 0.703046 0.679116 Ni\n0.501932 0.296954 0.179116 Ni\n0.501932 0.203046 0.679116 Ni\n0.495054 0.600340 0.562905 Ni\n0.495054 0.899660 0.062905 Ni\n0.504946 0.399660 0.437095 Ni\n0.504946 0.100340 0.937095 Ni\n0.498068 0.703046 0.820884 Ni\n0.498068 0.796954 0.320884 Ni\n0.001932 0.296954 0.320884 Ni\n0.001932 0.203046 0.820884 Ni\n0.995054 0.899660 0.437095 Ni\n0.995054 0.600340 0.937095 Ni\n0.143361 0.947253 0.300042 S\n0.143361 0.552747 0.800042 S\n0.148561 0.253888 0.446632 S\n0.148561 0.246112 0.946632 S\n0.197177 0.093877 0.116506 S\n0.197177 0.406123 0.616506 S\n0.302823 0.593877 0.116506 S\n0.302823 0.906123 0.616506 S\n0.351439 0.753888 0.446632 S\n0.351439 0.746112 0.946632 S\n0.356639 0.447253 0.300042 S\n0.356639 0.052747 0.800042 S\n0.643361 0.552747 0.699958 S\n0.643361 0.947253 0.199958 S\n0.648561 0.253888 0.053368 S\n0.648561 0.246112 0.553368 S\n0.697177 0.093877 0.383494 S\n0.697177 0.406123 0.883494 S\n0.802823 0.593877 0.383494 S\n0.802823 0.906123 0.883494 S\n0.851439 0.753888 0.053368 S\n0.851439 0.746112 0.553368 S\n0.856639 0.447253 0.199958 S\n0.856639 0.052747 0.699958 S\n0.063316 0.391737 0.464945 O\n0.063316 0.108263 0.964945 O\n0.082931 0.098180 0.279487 O\n0.082931 0.401820 0.779487 O\n0.083674 0.109545 0.475310 O\n0.083674 0.390455 0.975310 O\n0.086292 0.910996 0.356499 O\n0.086292 0.589004 0.856499 O\n0.093558 0.190231 0.082001 O\n0.093558 0.309769 0.582001 O\n0.090675 0.822924 0.260836 O\n0.090675 0.677076 0.760836 O\n0.098026 0.006842 0.157283 O\n0.098026 0.493158 0.657283 O\n0.138864 0.231395 0.385826 O\n0.138864 0.268605 0.885826 O\n0.182821 0.453373 0.298158 O\n0.182821 0.046627 0.798158 O\n0.187370 0.682611 0.147964 O\n0.187370 0.817389 0.647964 O\n0.185743 0.764567 0.465484 O\n0.185743 0.735433 0.965484 O\n0.225723 0.017314 0.576821 O\n0.225723 0.482686 0.076821 O\n0.274277 0.982686 0.076821 O\n0.274277 0.517314 0.576821 O\n0.314257 0.235433 0.965484 O\n0.314257 0.264567 0.465484 O\n0.312630 0.182611 0.147964 O\n0.312630 0.317389 0.647964 O\n0.317179 0.953373 0.298158 O\n0.317179 0.546627 0.798158 O\n0.361136 0.731395 0.385826 O\n0.361136 0.768605 0.885826 O\n0.401974 0.993158 0.657283 O\n0.401974 0.506842 0.157283 O\n0.409325 0.322924 0.260836 O\n0.409325 0.177076 0.760836 O\n0.406442 0.690231 0.082001 O\n0.406442 0.809769 0.582001 O\n0.413708 0.089004 0.856499 O\n0.413708 0.410996 0.356499 O\n0.416326 0.890455 0.975310 O\n0.416326 0.609545 0.475310 O\n0.417069 0.598180 0.279487 O\n0.417069 0.901820 0.779487 O\n0.436684 0.608263 0.964945 O\n0.436684 0.891737 0.464945 O\n0.563316 0.391737 0.035055 O\n0.563316 0.108263 0.535055 O\n0.582931 0.098180 0.220513 O\n0.582931 0.401820 0.720513 O\n0.583674 0.109545 0.024690 O\n0.583674 0.390455 0.524690 O\n0.586292 0.589004 0.643501 O\n0.586292 0.910996 0.143501 O\n0.593558 0.190231 0.417999 O\n0.593558 0.309769 0.917999 O\n0.590675 0.822924 0.239164 O\n0.590675 0.677076 0.739164 O\n0.598026 0.006842 0.342717 O\n0.598026 0.493158 0.842717 O\n0.638864 0.231395 0.114174 O\n0.638864 0.268605 0.614174 O\n0.682821 0.453373 0.201842 O\n0.682821 0.046627 0.701842 O\n0.687370 0.682611 0.352036 O\n0.687370 0.817389 0.852036 O\n0.685743 0.764567 0.034516 O\n0.685743 0.735433 0.534516 O\n0.725723 0.482686 0.423179 O\n0.725723 0.017314 0.923179 O\n0.774277 0.982686 0.423179 O\n0.774277 0.517314 0.923179 O\n0.814257 0.264567 0.034516 O\n0.814257 0.235433 0.534516 O\n0.812630 0.182611 0.352036 O\n0.812630 0.317389 0.852036 O\n0.817179 0.546627 0.701842 O\n0.817179 0.953373 0.201842 O\n0.861136 0.731395 0.114174 O\n0.861136 0.768605 0.614174 O\n0.901974 0.506842 0.342717 O\n0.901974 0.993158 0.842717 O\n0.909325 0.322924 0.239164 O\n0.909325 0.177076 0.739164 O\n0.906442 0.690231 0.417999 O\n0.906442 0.809769 0.917999 O\n0.913708 0.410996 0.143501 O\n0.913708 0.089004 0.643501 O\n0.916326 0.609545 0.024690 O\n0.916326 0.890455 0.524690 O\n0.917069 0.598180 0.220513 O\n0.917069 0.901820 0.720513 O\n0.936684 0.608263 0.535055 O\n0.936684 0.891737 0.035055 O\n",
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"elements": [
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"formula_full": "Li16 Ni16 S24 O96",
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"updated_at": "2021-11-28T01:36:13.367000Z",
"spacegroup": 61
},
{
"id": "mp-720736",
"created_at": "2022-09-04T14:43:33.528175Z",
"structure_string": "Ba8 B16 H64 O64\n1.0\n17.999964 0.000000 0.000000\n0.000000 8.921137 0.000000\n0.000000 4.973661 11.247100\nBa B H O\n8 16 64 64\ndirect\n0.718832 0.132202 0.199912 Ba\n0.781168 0.132202 0.699912 Ba\n0.281168 0.867798 0.800088 Ba\n0.218832 0.867798 0.300088 Ba\n0.575662 0.582902 0.753284 Ba\n0.924338 0.582902 0.253284 Ba\n0.424338 0.417098 0.246716 Ba\n0.075662 0.417098 0.746716 Ba\n0.506429 0.196543 0.060463 B\n0.993571 0.196543 0.560463 B\n0.493571 0.803457 0.939537 B\n0.006429 0.803457 0.439537 B\n0.733831 0.268162 0.915899 B\n0.766169 0.268162 0.415899 B\n0.266169 0.731838 0.084101 B\n0.233831 0.731838 0.584101 B\n0.520860 0.734850 0.309328 B\n0.979140 0.734850 0.809328 B\n0.479140 0.265150 0.690672 B\n0.020860 0.265150 0.190672 B\n0.798156 0.764975 0.579378 B\n0.701844 0.764975 0.079378 B\n0.201844 0.235025 0.420622 B\n0.298156 0.235025 0.920622 B\n0.563120 0.028887 0.195657 H\n0.936880 0.028887 0.695657 H\n0.436880 0.971113 0.804343 H\n0.063120 0.971113 0.304343 H\n0.437132 0.893443 0.201890 H\n0.062868 0.893443 0.701890 H\n0.562868 0.106557 0.798110 H\n0.937132 0.106557 0.298110 H\n0.248185 0.219999 0.784890 H\n0.251815 0.219999 0.284890 H\n0.751815 0.780001 0.215110 H\n0.748185 0.780001 0.715110 H\n0.449446 0.996093 0.392851 H\n0.050554 0.996093 0.892851 H\n0.550554 0.003907 0.607149 H\n0.949446 0.003907 0.107149 H\n0.776772 0.591193 0.838191 H\n0.723228 0.591193 0.338191 H\n0.223228 0.408807 0.161809 H\n0.276772 0.408807 0.661809 H\n0.770835 0.410793 0.028336 H\n0.729165 0.410793 0.528336 H\n0.229165 0.589207 0.971664 H\n0.270835 0.589207 0.471664 H\n0.076263 0.470469 0.117420 H\n0.423737 0.470469 0.617420 H\n0.923737 0.529531 0.882580 H\n0.576263 0.529531 0.382580 H\n0.161101 0.206943 0.984866 H\n0.338899 0.206943 0.484866 H\n0.838899 0.793057 0.015134 H\n0.661101 0.793057 0.515134 H\n0.719059 0.446485 0.572545 H\n0.780941 0.446485 0.072545 H\n0.280941 0.553515 0.427455 H\n0.219059 0.553515 0.927455 H\n0.627080 0.979377 0.552683 H\n0.872920 0.979377 0.052683 H\n0.372920 0.020623 0.447317 H\n0.127080 0.020623 0.947317 H\n0.222342 0.376760 0.376307 H\n0.277658 0.376760 0.876307 H\n0.777658 0.623240 0.623693 H\n0.722342 0.623240 0.123693 H\n0.397477 0.246984 0.556134 H\n0.102523 0.246984 0.056134 H\n0.602523 0.753016 0.443866 H\n0.897477 0.753016 0.943866 H\n0.449527 0.280628 0.915937 H\n0.050473 0.280628 0.415937 H\n0.550473 0.719372 0.084063 H\n0.949527 0.719372 0.584063 H\n0.859993 0.262793 0.852195 H\n0.640007 0.262793 0.352195 H\n0.140007 0.737207 0.147805 H\n0.359993 0.737207 0.647805 H\n0.783767 0.645059 0.871083 H\n0.716233 0.645059 0.371083 H\n0.216233 0.354941 0.128917 H\n0.283767 0.354941 0.628917 H\n0.894477 0.792275 0.425196 H\n0.605523 0.792275 0.925196 H\n0.105523 0.207725 0.574804 H\n0.394477 0.207725 0.074804 H\n0.553740 0.791157 0.875806 O\n0.946260 0.791157 0.375806 O\n0.446260 0.208843 0.124194 O\n0.053740 0.208843 0.624194 O\n0.571342 0.119296 0.114837 O\n0.928658 0.119296 0.614837 O\n0.428658 0.880704 0.885163 O\n0.071342 0.880704 0.385163 O\n0.622948 0.457757 0.026021 O\n0.877052 0.457757 0.526021 O\n0.377052 0.542243 0.973979 O\n0.122948 0.542243 0.473979 O\n0.401121 0.562509 0.871305 O\n0.098879 0.562509 0.371305 O\n0.598879 0.437491 0.128695 O\n0.901121 0.437491 0.628695 O\n0.659320 0.831833 0.985013 O\n0.840680 0.831833 0.485013 O\n0.340680 0.168167 0.014987 O\n0.159320 0.168167 0.514987 O\n0.755188 0.359051 0.813731 O\n0.744812 0.359051 0.313731 O\n0.244812 0.640949 0.186269 O\n0.255188 0.640949 0.686269 O\n0.497512 0.739631 0.064481 O\n0.002488 0.739631 0.564481 O\n0.502488 0.260369 0.935519 O\n0.997512 0.260369 0.435519 O\n0.556641 0.206524 0.724686 O\n0.943359 0.206524 0.224686 O\n0.443359 0.793476 0.275314 O\n0.056641 0.793476 0.775314 O\n0.527335 0.565318 0.347228 O\n0.972665 0.565318 0.847228 O\n0.472665 0.434682 0.652772 O\n0.027335 0.434682 0.152772 O\n0.568390 0.846371 0.306191 O\n0.931610 0.846371 0.806191 O\n0.431610 0.153629 0.693809 O\n0.068390 0.153629 0.193809 O\n0.618239 0.156170 0.362369 O\n0.881761 0.156170 0.862369 O\n0.381761 0.843830 0.637631 O\n0.118239 0.843830 0.137631 O\n0.594078 0.933177 0.625686 O\n0.905922 0.933177 0.125686 O\n0.405922 0.066823 0.374314 O\n0.094078 0.066823 0.874314 O\n0.878855 0.314531 0.218423 O\n0.621145 0.314531 0.718423 O\n0.121145 0.685469 0.781577 O\n0.378855 0.685469 0.281577 O\n0.628719 0.700750 0.522395 O\n0.871281 0.700750 0.022395 O\n0.371281 0.299250 0.477605 O\n0.128719 0.299250 0.977605 O\n0.769553 0.858852 0.641388 O\n0.730447 0.858852 0.141388 O\n0.230447 0.141148 0.358612 O\n0.269553 0.141148 0.858612 O\n0.678953 0.046844 0.436096 O\n0.821047 0.046844 0.936096 O\n0.321047 0.953156 0.563904 O\n0.178953 0.953156 0.063904 O\n",
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{
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"elements": [
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"formula_full": "Sb4 H84 C30 Br18 N18",
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"updated_at": "2021-11-28T01:37:34.873000Z",
"spacegroup": 2
},
{
"id": "mp-684127",
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}