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{
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{
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"structure_string": "Hg2 W2 O8\n1.0\n3.108479 5.805171 0.000000\n-3.108479 5.805171 0.000000\n0.000000 2.122236 4.828275\nHg W O\n2 2 8\ndirect\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.819301 0.180699 0.750000 W\n0.180699 0.819301 0.250000 W\n0.476048 0.757621 0.024256 O\n0.242379 0.523952 0.475744 O\n0.523952 0.242379 0.975744 O\n0.757621 0.476048 0.524256 O\n0.003078 0.187545 0.972889 O\n0.812455 0.996922 0.527111 O\n0.996922 0.812455 0.027111 O\n0.187545 0.003078 0.472889 O\n",
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"spacegroup": 15
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{
"id": "mp-23856",
"created_at": "2022-09-04T14:42:56.286981Z",
"structure_string": "Li2 H2 O2\n1.0\n3.591363 0.000000 0.000000\n0.000000 3.591363 0.000000\n0.000000 0.000000 4.410464\nLi H O\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.587026 H\n0.000000 0.500000 0.412974 H\n0.000000 0.500000 0.193022 O\n0.500000 0.000000 0.806978 O\n",
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{
"id": "mp-1209449",
"created_at": "2022-09-04T14:42:44.503193Z",
"structure_string": "Rb12 Lu4 Cl24\n1.0\n3.997821 13.055001 0.000000\n-3.997821 13.055001 0.000000\n0.000000 2.146358 12.702412\nRb Lu Cl\n12 4 24\ndirect\n0.304489 0.794586 0.567894 Rb\n0.695511 0.205414 0.432106 Rb\n0.205414 0.695511 0.932106 Rb\n0.794586 0.304489 0.067894 Rb\n0.467129 0.840404 0.854895 Rb\n0.532871 0.159596 0.145105 Rb\n0.159596 0.532871 0.645105 Rb\n0.840404 0.467129 0.354895 Rb\n0.651720 0.025372 0.798509 Rb\n0.348280 0.974628 0.201491 Rb\n0.974628 0.348280 0.701491 Rb\n0.025372 0.651720 0.298509 Rb\n0.783813 0.216187 0.750000 Lu\n0.216187 0.783813 0.250000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.619071 0.728681 0.580658 Cl\n0.380929 0.271318 0.419342 Cl\n0.271319 0.380929 0.919342 Cl\n0.728681 0.619071 0.080658 Cl\n0.499298 0.386409 0.681625 Cl\n0.500702 0.613591 0.318375 Cl\n0.613591 0.500702 0.818375 Cl\n0.386409 0.499298 0.181625 Cl\n0.776484 0.867980 0.535195 Cl\n0.223516 0.132020 0.464805 Cl\n0.132020 0.223516 0.964805 Cl\n0.867980 0.776484 0.035195 Cl\n0.919288 0.966096 0.194421 Cl\n0.080712 0.033904 0.805579 Cl\n0.033904 0.080712 0.305579 Cl\n0.966096 0.919288 0.694421 Cl\n0.717227 0.168087 0.932543 Cl\n0.282773 0.831913 0.067457 Cl\n0.831913 0.282773 0.567457 Cl\n0.168087 0.717227 0.432543 Cl\n0.363356 0.137798 0.683551 Cl\n0.636644 0.862202 0.316449 Cl\n0.862202 0.636644 0.816449 Cl\n0.137798 0.363356 0.183551 Cl\n",
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"elements": [
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"formula_full": "Rb12 Lu4 Cl24",
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"spacegroup": 15
},
{
"id": "mp-19009",
"created_at": "2022-09-04T14:42:56.481703Z",
"structure_string": "Ni2 O2\n1.0\n2.109361 -0.000052 -2.109347\n0.000054 -2.109368 2.109347\n-2.105111 -2.105116 -4.214497\nNi O\n2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.250001 0.749999 0.249993 O\n0.749999 0.250001 0.750007 O\n",
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"spacegroup": 225
},
{
"id": "mp-1519147",
"created_at": "2022-09-04T14:42:56.484775Z",
"structure_string": "Ba1 Na1 Pr1 W1 O6\n1.0\n0.000000 -4.308643 -4.308643\n4.308643 0.000000 -4.308643\n4.308643 -4.308643 -0.000000\nBa Na Pr W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.726974 0.273026 0.273026 O\n0.273026 0.726974 0.726974 O\n0.726974 0.273026 0.726974 O\n0.273026 0.726974 0.273026 O\n0.726974 0.726974 0.273026 O\n0.273026 0.273026 0.726974 O\n",
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],
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"formula_full": "Ba1 Na1 Pr1 W1 O6",
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{
"id": "mp-1200751",
"created_at": "2022-09-04T14:42:49.146546Z",
"structure_string": "Mn6 B6 P6 H12 O36\n1.0\n3.848593 -6.665959 0.000000\n3.848593 6.665959 0.000000\n0.000000 0.000000 12.967682\nMn B P H O\n6 6 6 12 36\ndirect\n0.877291 0.000000 0.666667 Mn\n0.000000 0.877291 0.333333 Mn\n0.122709 0.122709 0.000000 Mn\n0.254345 0.254345 0.500000 Mn\n0.745655 0.000000 0.166667 Mn\n0.000000 0.745655 0.833333 Mn\n0.312761 0.555126 0.872525 B\n0.444874 0.757635 0.539191 B\n0.242365 0.687239 0.205858 B\n0.555126 0.312761 0.127475 B\n0.757635 0.444874 0.460809 B\n0.687239 0.242365 0.794142 B\n0.330056 0.249530 0.765219 P\n0.750470 0.080526 0.431885 P\n0.919474 0.669944 0.098552 P\n0.249530 0.330056 0.234781 P\n0.080526 0.750470 0.568115 P\n0.669944 0.919474 0.901448 P\n0.594641 0.313075 0.594266 H\n0.686925 0.281567 0.260933 H\n0.718433 0.405359 0.927599 H\n0.313075 0.594641 0.405734 H\n0.281567 0.686925 0.739067 H\n0.405359 0.718433 0.072401 H\n0.581376 0.628537 0.618747 H\n0.371463 0.952838 0.285414 H\n0.047162 0.418624 0.952080 H\n0.628537 0.581376 0.381253 H\n0.952838 0.371463 0.714586 H\n0.418624 0.047162 0.047920 H\n0.580918 0.369057 0.528212 O\n0.630943 0.211860 0.194879 O\n0.788140 0.419082 0.861546 O\n0.369057 0.580918 0.471788 O\n0.211860 0.630943 0.805121 O\n0.419082 0.788140 0.138454 O\n0.587191 0.757419 0.613830 O\n0.242581 0.829772 0.280496 O\n0.170228 0.412809 0.947163 O\n0.757419 0.587191 0.386170 O\n0.829772 0.242581 0.719504 O\n0.412809 0.170228 0.052837 O\n0.208621 0.226857 0.666481 O\n0.773143 0.981764 0.333147 O\n0.018236 0.791379 0.999814 O\n0.226857 0.208621 0.333519 O\n0.981764 0.773143 0.666853 O\n0.791379 0.018236 0.000186 O\n0.409191 0.461895 0.813284 O\n0.538105 0.947297 0.479951 O\n0.052703 0.590809 0.146617 O\n0.461895 0.409191 0.186716 O\n0.947297 0.538105 0.520049 O\n0.590809 0.052703 0.853383 O\n0.522616 0.244431 0.730885 O\n0.755569 0.278185 0.397551 O\n0.721815 0.477384 0.064218 O\n0.244431 0.522616 0.269115 O\n0.278185 0.755569 0.602449 O\n0.477384 0.721815 0.935782 O\n0.207794 0.083812 0.843717 O\n0.916188 0.123982 0.510384 O\n0.876018 0.792206 0.177051 O\n0.083812 0.207794 0.156283 O\n0.123982 0.916188 0.489616 O\n0.792206 0.876018 0.822949 O\n",
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"formula_full": "Mn6 B6 P6 H12 O36",
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{
"id": "mp-1245076",
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"structure_string": "Sn40 O40\n1.0\n11.714785 0.227615 -0.871606\n0.204058 12.732851 0.116133\n-0.855339 0.139249 12.149657\nSn O\n40 40\ndirect\n0.806490 0.106284 0.757944 Sn\n0.733150 0.522854 0.155104 Sn\n0.594095 0.549100 0.528175 Sn\n0.683543 0.840382 0.244193 Sn\n0.962014 0.986448 0.538393 Sn\n0.305771 0.192096 0.472189 Sn\n0.903042 0.522820 0.624414 Sn\n0.274048 0.849156 0.120674 Sn\n0.169005 0.931878 0.363802 Sn\n0.669481 0.307432 0.916016 Sn\n0.648465 0.051457 0.001693 Sn\n0.436856 0.822462 0.416514 Sn\n0.918187 0.961186 0.196397 Sn\n0.051447 0.243538 0.657282 Sn\n0.746303 0.218408 0.248891 Sn\n0.407467 0.156920 0.182483 Sn\n0.528006 0.066473 0.701154 Sn\n0.970953 0.169021 0.016834 Sn\n0.338473 0.066968 0.929807 Sn\n0.085959 0.945386 0.844541 Sn\n0.402329 0.452323 0.007435 Sn\n0.022752 0.443266 0.190025 Sn\n0.301158 0.465906 0.263155 Sn\n0.496599 0.688344 0.099206 Sn\n0.587543 0.657280 0.802184 Sn\n0.014672 0.731895 0.685647 Sn\n0.714473 0.332690 0.641621 Sn\n0.378339 0.301382 0.766195 Sn\n0.249825 0.655122 0.571385 Sn\n0.153582 0.570160 0.962596 Sn\n0.537388 0.082803 0.431294 Sn\n0.988426 0.726628 0.087497 Sn\n0.173580 0.411091 0.522656 Sn\n0.896411 0.444249 0.918295 Sn\n0.018181 0.202881 0.371663 Sn\n0.288828 0.949123 0.663141 Sn\n0.194875 0.283916 0.999600 Sn\n0.914156 0.704722 0.416180 Sn\n0.711029 0.855165 0.619354 Sn\n0.329421 0.741816 0.844014 Sn\n0.005579 0.399775 0.580415 O\n0.965636 0.155931 0.525978 O\n0.518829 0.720576 0.933541 O\n0.484673 0.075555 0.054972 O\n0.826370 0.450045 0.747988 O\n0.835960 0.775665 0.543636 O\n0.528401 0.522602 0.110212 O\n0.332155 0.607027 0.977667 O\n0.071376 0.735201 0.527588 O\n0.260351 0.123584 0.067759 O\n0.281612 0.221870 0.876348 O\n0.151322 0.753822 0.166979 O\n0.737557 0.955753 0.135554 O\n0.494503 0.174216 0.816161 O\n0.633327 0.123230 0.310910 O\n0.190640 0.664972 0.725551 O\n0.297064 0.891448 0.501140 O\n0.864535 0.835539 0.301222 O\n0.153057 0.440195 0.339199 O\n0.738719 0.456737 0.986232 O\n0.235243 0.429341 0.917853 O\n0.677927 0.688953 0.152665 O\n0.597629 0.154186 0.580936 O\n0.583588 0.919712 0.482985 O\n0.422746 0.680760 0.720931 O\n0.942837 0.593177 0.169305 O\n0.488236 0.380396 0.900561 O\n0.832763 0.982459 0.649038 O\n0.322353 0.907390 0.283642 O\n0.967246 0.068328 0.869490 O\n0.559899 0.418869 0.611028 O\n0.348069 0.337488 0.113370 O\n0.171207 0.097835 0.394735 O\n0.341513 0.100834 0.621079 O\n0.755379 0.477081 0.525185 O\n0.172819 0.501234 0.128036 O\n0.893904 0.100928 0.284943 O\n0.698188 0.201420 0.066532 O\n0.876510 0.281970 0.918239 O\n0.105526 0.987250 0.678436 O\n",
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