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{
"id": "mp-1234207",
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"structure_string": "Mg1 Mn8 O13 F3\n1.0\n4.894954 0.310918 -5.152333\n0.228073 5.722559 -0.134030\n4.549857 0.072373 4.830737\nMg Mn O F\n1 8 13 3\ndirect\n0.111178 0.401430 0.877649 Mg\n0.407928 0.361605 0.139307 Mn\n0.134610 0.709876 0.386197 Mn\n0.859969 0.141777 0.124177 Mn\n0.381507 0.121937 0.636285 Mn\n0.139228 0.876470 0.875333 Mn\n0.625065 0.845408 0.367344 Mn\n0.619171 0.641098 0.865434 Mn\n0.835011 0.316769 0.601642 Mn\n0.127330 0.115597 0.073183 O\n0.186580 0.622891 0.097001 O\n0.590754 0.619196 0.153347 O\n0.098062 0.658959 0.665661 O\n0.358280 0.896173 0.423153 O\n0.099982 0.133855 0.678153 O\n0.597584 0.108043 0.169768 O\n0.399833 0.887062 0.837911 O\n0.636608 0.076435 0.582232 O\n0.889451 0.891705 0.331644 O\n0.403865 0.360105 0.847052 O\n0.660805 0.593906 0.578856 O\n0.824398 0.377316 0.891286 O\n0.332985 0.378810 0.425455 F\n0.933586 0.391848 0.345224 F\n0.866234 0.864585 0.906705 F\n",
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{
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"structure_string": "Hf12 Cu32\n1.0\n7.819232 0.000000 0.000000\n0.000000 8.124407 0.000000\n0.000000 0.000000 9.936201\nHf Cu\n12 32\ndirect\n0.039009 0.750000 0.547133 Hf\n0.539009 0.750000 0.952867 Hf\n0.960991 0.250000 0.452867 Hf\n0.460991 0.250000 0.047133 Hf\n0.562044 0.445802 0.359966 Hf\n0.062044 0.054198 0.140034 Hf\n0.437956 0.945802 0.640034 Hf\n0.937956 0.554198 0.859966 Hf\n0.437956 0.554198 0.640034 Hf\n0.937956 0.945802 0.859966 Hf\n0.562044 0.054198 0.359966 Hf\n0.062044 0.445802 0.140034 Hf\n0.177013 0.750000 0.016850 Cu\n0.677013 0.750000 0.483150 Cu\n0.822987 0.250000 0.983150 Cu\n0.322987 0.250000 0.516850 Cu\n0.129436 0.750000 0.265350 Cu\n0.629436 0.750000 0.234650 Cu\n0.870564 0.250000 0.734650 Cu\n0.370564 0.250000 0.765350 Cu\n0.383525 0.750000 0.403818 Cu\n0.883525 0.750000 0.096182 Cu\n0.616475 0.250000 0.596182 Cu\n0.116475 0.250000 0.903818 Cu\n0.378651 0.575000 0.159868 Cu\n0.878651 0.925000 0.340132 Cu\n0.621349 0.075000 0.840132 Cu\n0.121349 0.425000 0.659868 Cu\n0.621349 0.425000 0.840132 Cu\n0.121349 0.075000 0.659868 Cu\n0.378651 0.925000 0.159868 Cu\n0.878651 0.575000 0.340132 Cu\n0.198413 0.499715 0.406766 Cu\n0.698413 0.000285 0.093234 Cu\n0.801587 0.999715 0.593234 Cu\n0.301587 0.500285 0.906766 Cu\n0.801587 0.500285 0.593234 Cu\n0.301587 0.999715 0.906766 Cu\n0.198413 0.000285 0.406766 Cu\n0.698413 0.499715 0.093234 Cu\n0.284543 0.250000 0.272789 Cu\n0.784543 0.250000 0.227211 Cu\n0.715457 0.750000 0.727211 Cu\n0.215457 0.750000 0.772789 Cu\n",
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"formula_full": "Hf12 Cu32",
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},
{
"id": "mp-571617",
"created_at": "2022-09-04T14:44:24.435590Z",
"structure_string": "Sr8 Li4 In4 Ge8\n1.0\n4.661249 0.000000 0.000000\n0.000000 7.551232 0.000000\n0.000000 0.000000 17.578376\nSr Li In Ge\n8 4 4 8\ndirect\n0.250000 0.343730 0.939279 Sr\n0.250000 0.843730 0.560721 Sr\n0.750000 0.156270 0.439279 Sr\n0.750000 0.499549 0.278092 Sr\n0.750000 0.999549 0.221908 Sr\n0.750000 0.656270 0.060721 Sr\n0.250000 0.500451 0.721908 Sr\n0.250000 0.000451 0.778092 Sr\n0.250000 0.984905 0.066954 Li\n0.750000 0.515095 0.566954 Li\n0.750000 0.015095 0.933046 Li\n0.250000 0.484905 0.433046 Li\n0.750000 0.168448 0.653704 In\n0.250000 0.831552 0.346296 In\n0.750000 0.668448 0.846296 In\n0.250000 0.331552 0.153704 In\n0.750000 0.221818 0.065431 Ge\n0.750000 0.787089 0.685776 Ge\n0.250000 0.212911 0.314224 Ge\n0.250000 0.712911 0.185776 Ge\n0.250000 0.278182 0.565431 Ge\n0.750000 0.287089 0.814224 Ge\n0.250000 0.778182 0.934569 Ge\n0.750000 0.721818 0.434569 Ge\n",
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"chemical_system": "Ge-In-Li-Sr",
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"density_atomic": 0.03878933866939547,
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"formula_full": "Sr8 Li4 In4 Ge8",
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"updated_at": "2021-11-28T01:36:41.947000Z",
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{
"id": "mp-772657",
"created_at": "2022-09-04T14:44:24.452699Z",
"structure_string": "Ta16 W8 O64\n1.0\n18.118448 0.000000 0.000000\n0.000000 3.884299 0.000000\n0.000000 0.009200 16.946441\nTa W O\n16 8 64\ndirect\n0.904741 0.999141 0.250539 Ta\n0.095259 0.999141 0.750539 Ta\n0.052358 0.000974 0.369532 Ta\n0.947642 0.000974 0.869532 Ta\n0.222933 0.982249 0.251768 Ta\n0.777067 0.982249 0.751768 Ta\n0.155898 0.006448 0.558871 Ta\n0.844102 0.006448 0.058871 Ta\n0.153323 0.006749 0.939080 Ta\n0.846677 0.006749 0.439080 Ta\n0.549666 0.999354 0.132181 Ta\n0.550586 0.999775 0.368760 Ta\n0.450334 0.999354 0.632181 Ta\n0.449414 0.999775 0.868760 Ta\n0.406320 0.008009 0.249275 Ta\n0.593680 0.008009 0.749275 Ta\n0.050172 0.969133 0.132425 W\n0.949828 0.969133 0.632425 W\n0.658466 0.970022 0.559641 W\n0.341534 0.970022 0.059641 W\n0.343178 0.969930 0.440099 W\n0.656822 0.969930 0.940099 W\n0.723035 0.046195 0.249352 W\n0.276965 0.046195 0.749352 W\n0.252662 0.000646 0.004890 O\n0.253722 0.000540 0.494450 O\n0.746278 0.000540 0.994450 O\n0.747338 0.000646 0.504890 O\n0.439221 0.001250 0.130190 O\n0.438899 0.001232 0.369036 O\n0.560779 0.001250 0.630190 O\n0.561101 0.001232 0.869036 O\n0.312172 0.998882 0.172493 O\n0.687828 0.998882 0.672493 O\n0.311767 0.998613 0.325840 O\n0.688233 0.998613 0.825840 O\n0.019322 0.001192 0.247664 O\n0.980678 0.001192 0.747664 O\n0.588616 0.000263 0.022085 O\n0.588743 0.001063 0.477774 O\n0.411384 0.000263 0.522085 O\n0.411257 0.001063 0.977774 O\n0.654410 0.007346 0.168468 O\n0.653801 0.007036 0.330368 O\n0.345590 0.007346 0.668468 O\n0.346199 0.007036 0.830368 O\n0.273142 0.518405 0.749752 O\n0.726858 0.518405 0.249752 O\n0.342408 0.492245 0.063584 O\n0.342723 0.492213 0.435048 O\n0.657592 0.492245 0.563584 O\n0.657277 0.492213 0.935048 O\n0.954505 0.493568 0.630893 O\n0.955944 0.500341 0.868797 O\n0.045495 0.493568 0.130893 O\n0.044056 0.500341 0.368797 O\n0.097496 0.502629 0.749764 O\n0.902504 0.502629 0.249764 O\n0.596521 0.502706 0.749810 O\n0.403479 0.502706 0.249810 O\n0.549420 0.502377 0.372630 O\n0.550070 0.502181 0.126828 O\n0.449930 0.502181 0.626828 O\n0.450580 0.502377 0.872630 O\n0.167264 0.504149 0.561616 O\n0.832736 0.504149 0.061616 O\n0.163514 0.505080 0.943723 O\n0.836486 0.505080 0.443723 O\n0.226949 0.492758 0.244971 O\n0.773051 0.492758 0.744971 O\n0.147138 0.995561 0.168095 O\n0.152695 0.992419 0.333870 O\n0.852862 0.995561 0.668095 O\n0.847305 0.992419 0.833870 O\n0.080287 0.006880 0.025620 O\n0.084054 0.003199 0.478116 O\n0.919713 0.006880 0.525620 O\n0.915946 0.003199 0.978116 O\n0.521597 0.002387 0.249739 O\n0.478403 0.002387 0.749739 O\n0.810606 0.004455 0.177226 O\n0.189394 0.004455 0.677226 O\n0.191471 0.005196 0.825739 O\n0.808529 0.005196 0.325739 O\n0.061044 0.003459 0.630270 O\n0.938956 0.003459 0.130270 O\n0.063355 0.001749 0.869129 O\n0.936645 0.001749 0.369129 O\n",
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"formula_full": "Ta16 W8 O64",
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{
"id": "mp-1247037",
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"structure_string": "Fe10 Co1 N8\n1.0\n8.835894 -0.529586 0.166211\n1.030604 3.645450 0.000000\n1.970279 -0.557017 5.658471\nFe Co N\n10 1 8\ndirect\n0.355326 0.822337 0.780389 Fe\n0.644674 0.177663 0.219611 Fe\n0.034650 0.982675 0.748926 Fe\n0.965350 0.017325 0.251074 Fe\n0.696619 0.651690 0.511347 Fe\n0.303381 0.348310 0.488653 Fe\n0.851645 0.574177 0.987050 Fe\n0.148355 0.425823 0.012950 Fe\n0.604150 0.197925 0.819137 Fe\n0.395850 0.802075 0.180863 Fe\n0.000000 0.500000 0.500000 Co\n0.205211 0.897394 0.086300 N\n0.794789 0.102606 0.913700 N\n0.283161 0.858419 0.527968 N\n0.716839 0.141581 0.472032 N\n0.548952 0.725524 0.829792 N\n0.451048 0.274476 0.170208 N\n0.074277 0.462862 0.743382 N\n0.925723 0.537138 0.256618 N\n",
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{
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"structure_string": "Ba12 Sb4 I12\n1.0\n-7.131534 7.131534 7.131534\n7.131534 -7.131534 7.131534\n7.131534 7.131534 -7.131534\nBa Sb I\n12 4 12\ndirect\n0.486896 0.493448 0.243448 Ba\n0.750000 0.243448 0.256552 Ba\n0.750000 0.006552 0.493448 Ba\n0.243448 0.486896 0.493448 Ba\n0.256552 0.750000 0.243448 Ba\n0.013104 0.256552 0.006552 Ba\n0.006552 0.013104 0.256552 Ba\n0.493448 0.750000 0.006552 Ba\n0.493448 0.243448 0.486896 Ba\n0.006552 0.493448 0.750000 Ba\n0.256552 0.006552 0.013104 Ba\n0.243448 0.256552 0.750000 Ba\n0.250000 0.250000 0.250000 Sb\n0.500000 0.000000 0.250000 Sb\n0.000000 0.250000 0.500000 Sb\n0.250000 0.500000 0.000000 Sb\n0.250000 0.749243 0.750757 I\n0.498485 0.499243 0.749243 I\n0.001515 0.750757 0.000757 I\n0.750757 0.250000 0.749243 I\n0.000757 0.001515 0.750757 I\n0.250000 0.000757 0.499243 I\n0.749243 0.498485 0.499243 I\n0.499243 0.250000 0.000757 I\n0.749243 0.750757 0.250000 I\n0.750757 0.000757 0.001515 I\n0.000757 0.499243 0.250000 I\n0.499243 0.749243 0.498485 I\n",
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{
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"structure_string": "Li4 Cr5 Fe3 O16\n1.0\n2.938450 5.107342 0.000000\n-2.938450 5.107342 0.000000\n0.000000 0.181572 9.515987\nLi Cr Fe O\n4 5 3 16\ndirect\n0.667529 0.667529 0.106295 Li\n0.998541 0.998541 0.003487 Li\n0.998844 0.998844 0.504507 Li\n0.332707 0.332707 0.604898 Li\n0.335753 0.829984 0.789682 Cr\n0.668709 0.668709 0.514581 Cr\n0.829984 0.335753 0.789682 Cr\n0.167823 0.167823 0.292093 Cr\n0.335606 0.335606 0.017165 Cr\n0.828306 0.828306 0.782833 Fe\n0.168071 0.660400 0.285051 Fe\n0.660400 0.168071 0.285051 Fe\n0.331564 0.845943 0.397183 O\n0.521481 0.521481 0.665812 O\n0.664373 0.664373 0.897681 O\n0.001411 0.001411 0.690299 O\n0.002722 0.002722 0.189488 O\n0.845943 0.331564 0.397183 O\n0.509073 0.959603 0.659399 O\n0.959603 0.509073 0.659399 O\n0.164491 0.164491 0.891275 O\n0.836054 0.836054 0.401437 O\n0.040524 0.470334 0.160032 O\n0.470334 0.040524 0.160032 O\n0.332080 0.332080 0.397739 O\n0.176389 0.670395 0.896595 O\n0.480906 0.480906 0.156775 O\n0.670395 0.176389 0.896595 O\n",
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{
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{
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{
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}