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{
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{
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{
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"structure_string": "Li8 Cu4 F20\n1.0\n7.346053 0.000000 0.000000\n0.000000 6.251081 0.000000\n0.000000 0.298745 7.878555\nLi Cu F\n8 4 20\ndirect\n0.353023 0.941138 0.827889 Li\n0.146977 0.441138 0.827889 Li\n0.128488 0.679055 0.506350 Li\n0.628488 0.820945 0.493650 Li\n0.371512 0.179055 0.506350 Li\n0.871512 0.320945 0.493650 Li\n0.853023 0.558862 0.172111 Li\n0.646977 0.058862 0.172111 Li\n0.892183 0.886860 0.840718 Cu\n0.607817 0.386860 0.840718 Cu\n0.392183 0.613140 0.159282 Cu\n0.107817 0.113140 0.159282 Cu\n0.436614 0.674523 0.935456 F\n0.063386 0.174523 0.935456 F\n0.815821 0.514519 0.902298 F\n0.684179 0.014519 0.902298 F\n0.103814 0.767609 0.775161 F\n0.396186 0.267609 0.775161 F\n0.840446 0.959242 0.624503 F\n0.399529 0.877293 0.604718 F\n0.659554 0.459242 0.624503 F\n0.100471 0.377293 0.604718 F\n0.899529 0.622707 0.395282 F\n0.340446 0.540758 0.375497 F\n0.600471 0.122707 0.395282 F\n0.159554 0.040758 0.375497 F\n0.603814 0.732391 0.224839 F\n0.896186 0.232391 0.224839 F\n0.315821 0.985481 0.097702 F\n0.184179 0.485481 0.097702 F\n0.936614 0.825477 0.064544 F\n0.563386 0.325477 0.064544 F\n",
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"formula_full": "Li8 Cu4 F20",
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{
"id": "mp-626467",
"created_at": "2022-09-04T14:46:59.312009Z",
"structure_string": "Al8 H24 O24\n1.0\n5.179905 0.000000 0.000000\n0.000000 8.682402 0.000000\n0.000000 8.446824 9.527951\nAl H O\n8 24 24\ndirect\n0.243777 0.839753 0.485819 Al\n0.756223 0.839753 0.985819 Al\n0.266139 0.187662 0.501379 Al\n0.733861 0.187662 0.001379 Al\n0.730304 0.676305 0.492366 Al\n0.269696 0.676305 0.992366 Al\n0.751762 0.317510 0.510663 Al\n0.248238 0.317510 0.010663 Al\n0.549935 0.036488 0.275810 H\n0.450065 0.036488 0.775810 H\n0.981380 0.999901 0.706404 H\n0.018620 0.999901 0.206404 H\n0.058641 0.520639 0.291343 H\n0.941359 0.520639 0.791343 H\n0.339655 0.464017 0.614201 H\n0.660345 0.464017 0.114201 H\n0.422688 0.563884 0.395338 H\n0.577312 0.563884 0.895338 H\n0.833300 0.313563 0.700707 H\n0.166700 0.313563 0.200707 H\n0.948277 0.128673 0.380630 H\n0.051723 0.128673 0.880630 H\n0.579243 0.919736 0.584753 H\n0.391711 0.763103 0.727747 H\n0.420757 0.919736 0.084753 H\n0.608289 0.763103 0.227747 H\n0.118027 0.712628 0.367566 H\n0.881973 0.712628 0.867566 H\n0.570472 0.383660 0.296318 H\n0.429528 0.383660 0.796318 H\n0.896182 0.835365 0.605610 H\n0.103818 0.835365 0.105610 H\n0.547356 0.919865 0.386123 O\n0.452644 0.919865 0.886123 O\n0.956558 0.075314 0.605048 O\n0.043442 0.075314 0.105048 O\n0.076281 0.438185 0.393353 O\n0.923719 0.438185 0.893353 O\n0.418556 0.576163 0.604157 O\n0.581444 0.576163 0.104157 O\n0.603635 0.610919 0.376033 O\n0.396365 0.610919 0.876033 O\n0.871923 0.412943 0.599253 O\n0.128077 0.412943 0.099253 O\n0.136314 0.115806 0.389286 O\n0.863686 0.115806 0.889286 O\n0.398965 0.880163 0.613016 O\n0.601035 0.880163 0.113016 O\n0.038066 0.799817 0.381969 O\n0.961934 0.799817 0.881969 O\n0.453571 0.202273 0.614876 O\n0.546429 0.202273 0.114876 O\n0.581166 0.274121 0.398848 O\n0.418834 0.274121 0.898848 O\n0.935340 0.731253 0.599495 O\n0.064660 0.731253 0.099495 O\n",
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"spacegroup": 7
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{
"id": "mp-558808",
"created_at": "2022-09-04T14:46:59.316621Z",
"structure_string": "Li2 Al2 Si4 O12\n1.0\n5.038597 0.000000 0.000000\n-0.019630 7.701028 0.000000\n-0.010401 -3.554923 7.946572\nLi Al Si O\n2 2 4 12\ndirect\n0.361437 0.892219 0.709821 Li\n0.864665 0.070665 0.280390 Li\n0.354909 0.089299 0.103826 Al\n0.871471 0.064890 0.622257 Al\n0.312390 0.508394 0.115404 Si\n0.371728 0.928410 0.383484 Si\n0.815684 0.494419 0.897935 Si\n0.854427 0.898705 0.894121 Si\n0.017888 0.550168 0.058616 O\n0.307138 0.329950 0.166608 O\n0.188923 0.964638 0.549529 O\n0.903311 0.305562 0.740703 O\n0.668849 0.019697 0.442903 O\n0.404720 0.699414 0.278337 O\n0.171861 0.953640 0.917110 O\n0.732027 0.945027 0.740033 O\n0.516988 0.471282 0.959737 O\n0.810606 0.672062 0.839525 O\n0.694832 0.021992 0.070219 O\n0.235748 0.027669 0.267637 O\n",
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{
"id": "mp-29947",
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"structure_string": "K6 P2 Se32\n1.0\n0.000000 8.407333 8.407333\n8.407333 0.000000 8.407333\n8.407333 8.407333 0.000000\nK P Se\n6 2 32\ndirect\n0.250000 0.250000 0.250000 K\n0.625000 0.625000 0.125000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.125000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.572429 0.159626 0.317398 Se\n0.317399 0.159626 0.950547 Se\n0.159626 0.572429 0.950547 Se\n0.159626 0.317399 0.572429 Se\n0.950547 0.317398 0.159626 Se\n0.317399 0.572429 0.159626 Se\n0.950547 0.159626 0.572429 Se\n0.159626 0.950547 0.317399 Se\n0.677571 0.932601 0.299453 Se\n0.299453 0.677571 0.932601 Se\n0.932601 0.299453 0.677571 Se\n0.677571 0.090374 0.932602 Se\n0.572429 0.950547 0.159626 Se\n0.932601 0.090374 0.299453 Se\n0.090374 0.677571 0.299453 Se\n0.090374 0.932601 0.677571 Se\n0.299453 0.932601 0.090374 Se\n0.932601 0.677571 0.090374 Se\n0.299453 0.090374 0.677571 Se\n0.090374 0.299453 0.932601 Se\n0.423185 0.423185 0.730446 Se\n0.730446 0.423185 0.423185 Se\n0.423185 0.730446 0.423185 Se\n0.423185 0.423185 0.423185 Se\n0.826815 0.826815 0.519554 Se\n0.519554 0.826815 0.826815 Se\n0.826815 0.519554 0.826815 Se\n0.826815 0.826815 0.826815 Se\n0.317398 0.950547 0.572429 Se\n0.950547 0.572429 0.317398 Se\n0.572429 0.317399 0.950547 Se\n0.677571 0.299453 0.090374 Se\n",
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{
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"structure_string": "Sc2 Cl6 O24\n1.0\n8.252536 -4.024247 0.000000\n8.252536 4.024247 0.000000\n6.290162 0.000000 6.688256\nSc Cl O\n2 6 24\ndirect\n0.942702 0.942702 0.942702 Sc\n0.442702 0.442702 0.442702 Sc\n0.035543 0.308267 0.655640 Cl\n0.155640 0.808267 0.535543 Cl\n0.535543 0.155640 0.808267 Cl\n0.308267 0.655640 0.035543 Cl\n0.655640 0.035543 0.308267 Cl\n0.808267 0.535543 0.155640 Cl\n0.240505 0.875774 0.922431 O\n0.113763 0.796665 0.724344 O\n0.423053 0.051367 0.003044 O\n0.083872 0.151934 0.608586 O\n0.108586 0.651934 0.583872 O\n0.503044 0.551367 0.923053 O\n0.224344 0.296665 0.613763 O\n0.051367 0.003044 0.423053 O\n0.422431 0.375774 0.740505 O\n0.724344 0.113763 0.796665 O\n0.583872 0.108586 0.651934 O\n0.375774 0.740505 0.422431 O\n0.551367 0.923053 0.503044 O\n0.922431 0.240505 0.875774 O\n0.151934 0.608586 0.083872 O\n0.296665 0.613763 0.224344 O\n0.613763 0.224344 0.296665 O\n0.923053 0.503044 0.551367 O\n0.740505 0.422431 0.375774 O\n0.608586 0.083872 0.151934 O\n0.651934 0.583872 0.108586 O\n0.875774 0.922431 0.240505 O\n0.796665 0.724344 0.113763 O\n0.003044 0.423053 0.051367 O\n",
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{
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"structure_string": "Li4 Si4 Bi4 O16\n1.0\n5.774587 0.000000 0.000000\n0.000000 7.098488 0.000000\n0.000000 0.000000 9.058771\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.915573 0.750000 0.677622 Si\n0.584427 0.750000 0.177622 Si\n0.415573 0.250000 0.822378 Si\n0.084427 0.250000 0.322378 Si\n0.867191 0.250000 0.655965 Bi\n0.632809 0.250000 0.155965 Bi\n0.367191 0.750000 0.844035 Bi\n0.132809 0.750000 0.344035 Bi\n0.011874 0.250000 0.144059 O\n0.677838 0.250000 0.904856 O\n0.734524 0.935960 0.133614 O\n0.734524 0.564040 0.133614 O\n0.765476 0.935960 0.633614 O\n0.765476 0.564040 0.633614 O\n0.822162 0.250000 0.404856 O\n0.488126 0.250000 0.644059 O\n0.511874 0.750000 0.355941 O\n0.177838 0.750000 0.595144 O\n0.265476 0.435960 0.866386 O\n0.265476 0.064040 0.866386 O\n0.234524 0.064040 0.366386 O\n0.234524 0.435960 0.366386 O\n0.988126 0.750000 0.855941 O\n0.322162 0.750000 0.095144 O\n",
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{
"id": "mp-601286",
"created_at": "2022-09-04T14:46:59.333024Z",
"structure_string": "Tb4 Cu4 Pb4 Se12\n1.0\n4.069658 0.000000 0.000000\n0.000000 10.679103 0.000000\n0.000000 0.000000 13.640112\nTb Cu Pb Se\n4 4 4 12\ndirect\n0.250000 0.486297 0.741720 Tb\n0.750000 0.013703 0.241720 Tb\n0.250000 0.986297 0.758280 Tb\n0.750000 0.513703 0.258280 Tb\n0.750000 0.741774 0.780609 Cu\n0.250000 0.758226 0.280609 Cu\n0.750000 0.241774 0.719391 Cu\n0.250000 0.258226 0.219391 Cu\n0.250000 0.724888 0.995919 Pb\n0.750000 0.275112 0.004081 Pb\n0.750000 0.775112 0.495919 Pb\n0.250000 0.224888 0.504081 Pb\n0.250000 0.448434 0.114426 Se\n0.750000 0.416689 0.604266 Se\n0.250000 0.083311 0.104266 Se\n0.750000 0.551566 0.885574 Se\n0.250000 0.948434 0.385574 Se\n0.250000 0.583311 0.395734 Se\n0.750000 0.760204 0.171632 Se\n0.750000 0.051566 0.614426 Se\n0.750000 0.916689 0.895734 Se\n0.750000 0.260204 0.328368 Se\n0.250000 0.239796 0.828368 Se\n0.250000 0.739796 0.671632 Se\n",
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