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{
"id": "mp-720432",
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"structure_string": "Na2 Ca9 Nd1 Y5 Ho1 F41\n1.0\n9.776735 0.000000 0.000000\n-3.252989 9.898740 0.000000\n-3.180363 -4.891700 8.651999\nNa Ca Nd Y Ho F\n2 9 1 5 1 41\ndirect\n0.386391 0.632361 0.040289 Na\n0.952099 0.160229 0.269130 Na\n0.072251 0.515688 0.212761 Ca\n0.134981 0.211764 0.673979 Ca\n0.231363 0.571979 0.629144 Ca\n0.343927 0.942715 0.590909 Ca\n0.439425 0.306703 0.525409 Ca\n0.564119 0.694087 0.497221 Ca\n0.610338 0.365573 0.939308 Ca\n0.773316 0.421716 0.367866 Ca\n0.927930 0.485644 0.796117 Ca\n0.865932 0.800236 0.287386 Nd\n0.013310 0.833277 0.717886 Y\n0.681154 0.722428 0.883018 Y\n0.188413 0.876132 0.168620 Y\n0.802337 0.099737 0.837196 Y\n0.332760 0.278096 0.109687 Y\n0.655564 0.053119 0.417158 Ho\n0.020513 0.442118 0.383498 F\n0.198799 0.307233 0.520884 F\n0.129746 0.780081 0.323500 F\n0.139660 0.452487 0.764774 F\n0.317274 0.686460 0.472892 F\n0.087626 0.941575 0.558219 F\n0.466523 0.555088 0.615203 F\n0.336572 0.362776 0.942124 F\n0.232871 0.815351 0.701678 F\n0.405135 0.047892 0.426443 F\n0.149016 0.624367 0.063241 F\n0.444037 0.689520 0.867829 F\n0.289785 0.474052 0.203722 F\n0.204796 0.077958 0.878072 F\n0.378970 0.208892 0.686283 F\n0.624607 0.863548 0.770715 F\n0.576489 0.116209 0.828059 F\n0.433752 0.897140 0.191277 F\n0.296073 0.119211 0.201748 F\n0.626987 0.796882 0.327395 F\n0.761034 0.899592 0.121831 F\n0.654824 0.471430 0.781377 F\n0.560162 0.295748 0.115661 F\n0.942401 0.245413 0.090586 F\n0.852582 0.369676 0.934120 F\n0.588299 0.957132 0.567629 F\n0.730243 0.175447 0.298730 F\n0.626776 0.607858 0.046644 F\n0.519401 0.425387 0.367190 F\n0.892191 0.054690 0.438770 F\n0.881842 0.969692 0.674605 F\n0.683113 0.300826 0.531430 F\n0.836386 0.534371 0.206002 F\n0.906597 0.716427 0.045040 F\n0.866842 0.212436 0.688925 F\n0.945747 0.989018 0.941008 F\n0.813545 0.684759 0.454476 F\n0.077921 0.999338 0.290185 F\n0.966842 0.571916 0.623057 F\n0.773869 0.691253 0.701260 F\n0.094348 0.784569 0.914434 F\n",
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"updated_at": "2021-11-28T01:34:29.437000Z",
"spacegroup": 1
},
{
"id": "mp-1192840",
"created_at": "2022-09-04T14:46:00.530347Z",
"structure_string": "K2 Zn4 Cd2 B4 O12 F2\n1.0\n2.546267 -4.410263 0.000000\n2.546267 4.410263 0.000000\n0.000000 0.000000 15.413253\nK Zn Cd B O F\n2 4 2 4 12 2\ndirect\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.666667 0.333333 0.616258 Zn\n0.333333 0.666667 0.116258 Zn\n0.333333 0.666667 0.383742 Zn\n0.666667 0.333333 0.883742 Zn\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.595142 B\n0.666667 0.333333 0.095142 B\n0.666667 0.333333 0.404858 B\n0.333333 0.666667 0.904858 B\n0.613150 0.931713 0.595545 O\n0.318562 0.386850 0.595545 O\n0.068287 0.681438 0.595545 O\n0.681438 0.068287 0.095545 O\n0.386850 0.318562 0.095545 O\n0.931713 0.613150 0.095545 O\n0.386850 0.068287 0.404455 O\n0.681438 0.613150 0.404455 O\n0.931713 0.318562 0.404455 O\n0.318562 0.931713 0.904455 O\n0.613150 0.681438 0.904455 O\n0.068287 0.386850 0.904455 O\n0.666667 0.333333 0.750000 F\n0.333333 0.666667 0.250000 F\n",
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"elements": [
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],
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"formula_full": "K2 Zn4 Cd2 B4 O12 F2",
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{
"id": "mp-1200033",
"created_at": "2022-09-04T14:46:00.798852Z",
"structure_string": "Gd4 H8 C8 S4 N4 O36\n1.0\n8.841401 0.000000 0.000000\n0.000000 6.672091 0.000000\n0.000000 6.039819 14.205422\nGd H C S N O\n4 8 8 4 4 36\ndirect\n0.731203 0.327817 0.417247 Gd\n0.768797 0.327817 0.917247 Gd\n0.268797 0.672183 0.582753 Gd\n0.231203 0.672183 0.082753 Gd\n0.886557 0.197543 0.598707 H\n0.613443 0.197543 0.098707 H\n0.113443 0.802457 0.401293 H\n0.386557 0.802457 0.901293 H\n0.026861 0.249460 0.533046 H\n0.473139 0.249460 0.033046 H\n0.973139 0.750540 0.466954 H\n0.526861 0.750540 0.966954 H\n0.028955 0.607172 0.277414 C\n0.471045 0.607172 0.777414 C\n0.971045 0.392828 0.722586 C\n0.528955 0.392828 0.222586 C\n0.022955 0.341925 0.264691 C\n0.477045 0.341925 0.764691 C\n0.977045 0.658075 0.735309 C\n0.522955 0.658075 0.235309 C\n0.334657 0.265006 0.473992 S\n0.165343 0.265006 0.973992 S\n0.665343 0.734994 0.526008 S\n0.834658 0.734994 0.026008 S\n0.842641 0.045641 0.191981 N\n0.657359 0.045641 0.691981 N\n0.157359 0.954359 0.808019 N\n0.342641 0.954359 0.308019 N\n0.502717 0.266351 0.487925 O\n0.997283 0.266351 0.987925 O\n0.497283 0.733649 0.512075 O\n0.002717 0.733649 0.012075 O\n0.262144 0.423071 0.508808 O\n0.237856 0.423071 0.008808 O\n0.737856 0.576929 0.491192 O\n0.762144 0.576929 0.991192 O\n0.298754 0.322299 0.374719 O\n0.201246 0.322299 0.874719 O\n0.701246 0.677701 0.625281 O\n0.798754 0.677701 0.125281 O\n0.275501 0.045004 0.534939 O\n0.224499 0.045004 0.034939 O\n0.724499 0.954996 0.465061 O\n0.775501 0.954996 0.965061 O\n0.942736 0.604397 0.340195 O\n0.557264 0.604397 0.840195 O\n0.057264 0.395603 0.659805 O\n0.442736 0.395603 0.159805 O\n0.936579 0.220212 0.323963 O\n0.563421 0.220212 0.823963 O\n0.063421 0.779788 0.676037 O\n0.436579 0.779788 0.176037 O\n0.104061 0.347318 0.199603 O\n0.395939 0.347318 0.699603 O\n0.895939 0.652682 0.800397 O\n0.604061 0.652682 0.300397 O\n0.118646 0.729900 0.220925 O\n0.381354 0.729900 0.720925 O\n0.881354 0.270100 0.779075 O\n0.618646 0.270100 0.279075 O\n0.921089 0.202796 0.537828 O\n0.578911 0.202796 0.037828 O\n0.078911 0.797204 0.462172 O\n0.421089 0.797204 0.962172 O\n",
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"formula_full": "Gd4 H8 C8 S4 N4 O36",
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{
"id": "mp-1233845",
"created_at": "2022-09-04T14:46:00.801925Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.749293 0.755919 0.514716\n4.190176 -7.259177 0.014573\n4.207029 -2.407889 -6.825312\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.329114 0.550424 0.550153 Mg\n0.016640 0.663763 0.659360 V\n0.447459 0.851977 0.853433 V\n0.996665 0.340111 0.328475 V\n0.507654 0.170875 0.165907 Co\n0.892102 0.034102 0.035963 Sn\n0.640152 0.452078 0.455241 Sn\n0.249704 0.242919 0.545503 P\n0.253197 0.962420 0.248380 P\n0.256041 0.538514 0.956341 P\n0.744241 0.472018 0.030956 P\n0.743858 0.031928 0.752219 P\n0.742463 0.755366 0.473775 P\n0.109091 0.138426 0.222576 O\n0.103640 0.528601 0.131141 O\n0.108525 0.232952 0.516243 O\n0.305991 0.051257 0.703011 O\n0.387537 0.290374 0.364836 O\n0.185401 0.409569 0.618643 O\n0.327893 0.929092 0.054658 O\n0.193404 0.782368 0.406941 O\n0.595757 0.639388 0.020473 O\n0.198577 0.612126 0.777249 O\n0.707045 0.281094 0.099379 O\n0.596173 0.018445 0.744812 O\n0.382552 0.970054 0.296374 O\n0.321616 0.686548 0.936548 O\n0.803753 0.450053 0.194511 O\n0.383640 0.348919 0.969483 O\n0.803722 0.194519 0.551087 O\n0.705734 0.098239 0.913783 O\n0.797907 0.552934 0.457464 O\n0.593655 0.754313 0.645209 O\n0.703345 0.912977 0.284262 O\n0.885067 0.777460 0.483315 O\n0.884869 0.487072 0.852209 O\n0.888674 0.857042 0.770400 O\n",
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{
"id": "mp-1238646",
"created_at": "2022-09-04T14:39:08.803903Z",
"structure_string": "Na2 Ga2 B2 P4 H6 O20\n1.0\n6.959690 4.357209 -2.426169\n6.959690 -4.357209 -2.426169\n1.340747 0.000000 -7.863865\nNa Ga B P H O\n2 2 2 4 6 20\ndirect\n0.071139 0.928861 0.250000 Na\n0.928861 0.071139 0.750000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.605883 0.394117 0.750000 B\n0.394117 0.605883 0.250000 B\n0.261897 0.138884 0.824571 P\n0.861116 0.738103 0.675429 P\n0.738103 0.861116 0.175429 P\n0.138884 0.261897 0.324571 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.270077 0.485147 0.130655 H\n0.514853 0.729923 0.369345 H\n0.729923 0.514853 0.869345 H\n0.485147 0.270077 0.630655 H\n0.205541 0.401269 0.120316 O\n0.598731 0.794459 0.379684 O\n0.794459 0.598731 0.879684 O\n0.401269 0.205541 0.620316 O\n0.573319 0.342638 0.646131 O\n0.657362 0.426681 0.853869 O\n0.426681 0.657362 0.353869 O\n0.342638 0.573319 0.146131 O\n0.210655 0.018037 0.777267 O\n0.981963 0.789345 0.722733 O\n0.789345 0.981963 0.222733 O\n0.018037 0.210655 0.277267 O\n0.354440 0.026278 0.988629 O\n0.973722 0.645560 0.511371 O\n0.645560 0.973722 0.011371 O\n0.026278 0.354440 0.488629 O\n0.104818 0.322046 0.864271 O\n0.677954 0.895182 0.635729 O\n0.895182 0.677954 0.135729 O\n0.322046 0.104818 0.364271 O\n",
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"formula_full": "Na2 Ga2 B2 P4 H6 O20",
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},
{
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"structure_string": "Na2 Ga2 B2 P4 H6 O20\n1.0\n4.745823 4.118884 -2.360710\n4.745823 -4.118884 -2.360710\n0.001586 0.000000 -9.210051\nNa Ga B P H O\n2 2 2 4 6 20\ndirect\n0.130320 0.869680 0.250000 Na\n0.869680 0.130320 0.750000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.467012 0.532988 0.750000 B\n0.532988 0.467012 0.250000 B\n0.290907 0.162325 0.820383 P\n0.837675 0.709093 0.679617 P\n0.709093 0.837675 0.179617 P\n0.162325 0.290907 0.320383 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.320223 0.696419 0.924957 H\n0.303581 0.679777 0.575043 H\n0.679777 0.303581 0.075043 H\n0.696419 0.320223 0.424957 H\n0.083412 0.273361 0.189066 O\n0.726639 0.916588 0.310934 O\n0.916588 0.726639 0.810934 O\n0.273361 0.083412 0.689066 O\n0.467979 0.315355 0.747421 O\n0.684645 0.532021 0.752579 O\n0.532021 0.684645 0.252579 O\n0.315355 0.467979 0.247421 O\n0.304746 0.571509 0.899711 O\n0.428491 0.695254 0.600289 O\n0.695254 0.428491 0.100289 O\n0.571509 0.304746 0.399711 O\n0.362234 0.970352 0.955766 O\n0.029648 0.637766 0.544234 O\n0.637766 0.029648 0.044234 O\n0.970352 0.362234 0.455766 O\n0.068400 0.283350 0.887779 O\n0.716650 0.931600 0.612221 O\n0.931600 0.716650 0.112221 O\n0.283350 0.068400 0.387779 O\n",
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"formula_full": "Na2 Ga2 B2 P4 H6 O20",
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},
{
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"structure_string": "Na3 Ca1 Al3 Si3 S1 O16\n1.0\n-4.431406 4.569326 -4.527220\n4.438845 -4.573383 -4.538825\n-4.451307 -4.592793 -4.531650\nNa Ca Al Si S O\n3 1 3 3 1 16\ndirect\n0.628468 0.635908 0.362014 Na\n0.374766 0.003477 0.997777 Na\n0.995367 0.373866 0.999515 Na\n0.002077 0.969210 0.651585 Ca\n0.253117 0.750947 0.497249 Al\n0.748336 0.493158 0.757912 Al\n0.247267 0.502731 0.245880 Al\n0.501339 0.253571 0.255082 Si\n0.748195 0.243572 0.504981 Si\n0.496748 0.745836 0.747873 Si\n0.000810 0.005432 0.993143 S\n0.198202 0.182976 0.798358 O\n0.822498 0.020298 0.968250 O\n0.984472 0.803411 0.005766 O\n0.996769 0.009501 0.181556 O\n0.708269 0.391688 0.596502 O\n0.416574 0.409257 0.288670 O\n0.428639 0.714449 0.582003 O\n0.287415 0.708162 0.291350 O\n0.586665 0.289654 0.020734 O\n0.587685 0.994609 0.695375 O\n0.002320 0.617994 0.706962 O\n0.301111 0.593014 0.983844 O\n0.696333 0.287612 0.309248 O\n0.985766 0.280706 0.419593 O\n0.693759 0.704167 0.719189 O\n0.307032 0.014795 0.419588 O\n",
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