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{
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{
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"spacegroup": 225
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{
"id": "mp-1197684",
"created_at": "2022-09-04T14:46:57.471096Z",
"structure_string": "Na20 Al4 H32 O32\n1.0\n9.463854 0.000000 0.000000\n0.000000 9.463854 0.000000\n0.000000 0.000000 9.660960\nNa Al H O\n20 4 32 32\ndirect\n0.377582 0.869351 0.483238 Na\n0.622418 0.130649 0.983238 Na\n0.369351 0.122418 0.733238 Na\n0.630649 0.877582 0.233238 Na\n0.130649 0.622418 0.016762 Na\n0.869351 0.377582 0.516762 Na\n0.122418 0.369351 0.266762 Na\n0.877582 0.630649 0.766762 Na\n0.114460 0.628209 0.527824 Na\n0.885540 0.371791 0.027824 Na\n0.128209 0.385540 0.777824 Na\n0.871791 0.614460 0.277824 Na\n0.371791 0.885540 0.972176 Na\n0.628209 0.114460 0.472176 Na\n0.385540 0.128209 0.222176 Na\n0.614460 0.871791 0.722176 Na\n0.876085 0.876085 0.500000 Na\n0.123915 0.123915 0.000000 Na\n0.376085 0.623915 0.750000 Na\n0.623915 0.376085 0.250000 Na\n0.130854 0.869146 0.250000 Al\n0.869146 0.130854 0.750000 Al\n0.369146 0.369146 0.500000 Al\n0.630854 0.630854 0.000000 Al\n0.892786 0.952902 0.203632 H\n0.107214 0.047098 0.703632 H\n0.452902 0.607214 0.453632 H\n0.547098 0.392786 0.953632 H\n0.047098 0.107214 0.296368 H\n0.952902 0.892786 0.796368 H\n0.607214 0.452902 0.546368 H\n0.392786 0.547098 0.046368 H\n0.362657 0.782783 0.193805 H\n0.637343 0.217217 0.693805 H\n0.282783 0.137343 0.443805 H\n0.717217 0.862657 0.943805 H\n0.217217 0.637343 0.306195 H\n0.782783 0.362657 0.806195 H\n0.137343 0.282783 0.556195 H\n0.862657 0.717217 0.056195 H\n0.131942 0.968993 0.481074 H\n0.868058 0.031007 0.981074 H\n0.468993 0.368058 0.731074 H\n0.531007 0.631942 0.231074 H\n0.031007 0.868058 0.018926 H\n0.968993 0.131942 0.518926 H\n0.368058 0.468993 0.268926 H\n0.631942 0.531007 0.768926 H\n0.635593 0.762532 0.460931 H\n0.364407 0.237468 0.960931 H\n0.262532 0.864407 0.710931 H\n0.737468 0.135593 0.210931 H\n0.237468 0.364407 0.039069 H\n0.762532 0.635593 0.539069 H\n0.864407 0.262532 0.289069 H\n0.135593 0.737468 0.789069 H\n0.924382 0.863523 0.242360 O\n0.075618 0.136477 0.742360 O\n0.363523 0.575618 0.492360 O\n0.636477 0.424382 0.992360 O\n0.136477 0.075618 0.257640 O\n0.863523 0.924382 0.757640 O\n0.575618 0.363523 0.507640 O\n0.424382 0.636477 0.007640 O\n0.336163 0.871115 0.239813 O\n0.663837 0.128885 0.739813 O\n0.371115 0.163837 0.489813 O\n0.628885 0.836163 0.989813 O\n0.128885 0.663837 0.260187 O\n0.871115 0.336163 0.760187 O\n0.163837 0.371115 0.510187 O\n0.836163 0.628885 0.010187 O\n0.129405 0.869808 0.454308 O\n0.870595 0.130192 0.954308 O\n0.369808 0.370595 0.704308 O\n0.630192 0.629405 0.204308 O\n0.130192 0.870595 0.045692 O\n0.869808 0.129405 0.545692 O\n0.370595 0.369808 0.295692 O\n0.629405 0.630192 0.795692 O\n0.620702 0.863260 0.477582 O\n0.379298 0.136740 0.977582 O\n0.363260 0.879298 0.727582 O\n0.636740 0.120702 0.227582 O\n0.136740 0.379298 0.022418 O\n0.863260 0.620702 0.522418 O\n0.879298 0.363260 0.272418 O\n0.120702 0.636740 0.772418 O\n",
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"density_atomic": 0.10170125792334457,
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"spacegroup": 96
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{
"id": "mp-620471",
"created_at": "2022-09-04T14:46:56.850028Z",
"structure_string": "Cs3 Te22\n1.0\n-9.669671 0.000000 0.000000\n-0.023235 -9.689403 0.000000\n4.821677 4.807144 10.419516\nCs Te\n3 22\ndirect\n0.178458 0.175593 0.350174 Cs\n0.827088 0.829169 0.651346 Cs\n0.500980 0.502690 0.002038 Cs\n0.896282 0.805776 0.999847 Te\n0.097976 0.529390 0.767910 Te\n0.239255 0.098048 0.766497 Te\n0.009011 0.213575 0.615872 Te\n0.326905 0.758742 0.230746 Te\n0.990974 0.789875 0.384499 Te\n0.669870 0.241737 0.767567 Te\n0.474422 0.329309 0.232359 Te\n0.807917 0.100931 0.001779 Te\n0.526687 0.669824 0.765440 Te\n0.759827 0.904459 0.233782 Te\n0.904992 0.474549 0.232435 Te\n0.407853 0.008980 0.616984 Te\n0.590692 0.990788 0.383427 Te\n0.208980 0.606887 0.614417 Te\n0.195680 0.898435 0.000828 Te\n0.609806 0.407326 0.615885 Te\n0.000362 0.500471 0.001745 Te\n0.791235 0.394493 0.385073 Te\n0.100444 0.193414 0.000032 Te\n0.497581 0.000525 0.003253 Te\n0.392764 0.593495 0.383115 Te\n",
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{
"id": "mp-1247622",
"created_at": "2022-09-04T14:46:39.146620Z",
"structure_string": "Ca8 Mn7 Cr1 O22\n1.0\n7.681707 0.000000 0.000000\n0.000000 7.681707 0.000000\n0.000000 0.000000 7.654236\nCa Mn Cr O\n8 7 1 22\ndirect\n0.250705 0.250705 0.252643 Ca\n0.250678 0.250678 0.743034 Ca\n0.250705 0.749295 0.252643 Ca\n0.250678 0.749322 0.743034 Ca\n0.749295 0.250705 0.252643 Ca\n0.749322 0.250678 0.743034 Ca\n0.749295 0.749295 0.252643 Ca\n0.749322 0.749322 0.743034 Ca\n0.000000 0.000000 0.499860 Mn\n0.000000 0.500000 0.006356 Mn\n0.000000 0.500000 0.491442 Mn\n0.500000 0.000000 0.006356 Mn\n0.500000 0.000000 0.491442 Mn\n0.500000 0.500000 0.993924 Mn\n0.500000 0.500000 0.504192 Mn\n0.000000 0.000000 0.993409 Cr\n0.000000 0.000000 0.755113 O\n0.000000 0.500000 0.249352 O\n0.000000 0.500000 0.750097 O\n0.500000 0.000000 0.249352 O\n0.500000 0.000000 0.750097 O\n0.500000 0.500000 0.749785 O\n0.241894 0.000000 0.027240 O\n0.246988 0.000000 0.478938 O\n0.254409 0.500000 0.022685 O\n0.254403 0.500000 0.477766 O\n0.758106 0.000000 0.027240 O\n0.753012 0.000000 0.478938 O\n0.745591 0.500000 0.022685 O\n0.745597 0.500000 0.477766 O\n0.000000 0.241894 0.027240 O\n0.000000 0.246988 0.478938 O\n0.000000 0.758106 0.027240 O\n0.000000 0.753012 0.478938 O\n0.500000 0.254409 0.022685 O\n0.500000 0.254403 0.477766 O\n0.500000 0.745591 0.022685 O\n0.500000 0.745597 0.477766 O\n",
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{
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"structure_string": "Mg30 Mn1 Zn1 O32\n1.0\n8.540773 0.000000 0.000000\n0.000000 8.540773 0.000000\n0.000000 0.000000 8.551357\nMg Mn Zn O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250292 0.250292 0.000000 Mg\n0.250292 0.749708 0.000000 Mg\n0.749708 0.250292 0.000000 Mg\n0.749708 0.749708 0.000000 Mg\n0.249988 0.249988 0.500000 Mg\n0.249988 0.750012 0.500000 Mg\n0.750012 0.249988 0.500000 Mg\n0.750012 0.750012 0.500000 Mg\n0.000000 0.249566 0.250010 Mg\n0.000000 0.750434 0.250010 Mg\n0.500000 0.249899 0.250044 Mg\n0.500000 0.750101 0.250044 Mg\n0.000000 0.249566 0.749990 Mg\n0.000000 0.750434 0.749990 Mg\n0.500000 0.249899 0.749956 Mg\n0.500000 0.750101 0.749956 Mg\n0.249566 0.000000 0.250010 Mg\n0.249899 0.500000 0.250044 Mg\n0.750434 0.000000 0.250010 Mg\n0.750101 0.500000 0.250044 Mg\n0.249566 0.000000 0.749990 Mg\n0.249899 0.500000 0.749956 Mg\n0.750434 0.000000 0.749990 Mg\n0.750101 0.500000 0.749956 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.256371 O\n0.000000 0.500000 0.250000 O\n0.500000 0.000000 0.250000 O\n0.500000 0.500000 0.253234 O\n0.000000 0.000000 0.743629 O\n0.000000 0.500000 0.750000 O\n0.500000 0.000000 0.750000 O\n0.500000 0.500000 0.746766 O\n0.250087 0.250087 0.249464 O\n0.250087 0.749913 0.249464 O\n0.749913 0.250087 0.249464 O\n0.749913 0.749913 0.249464 O\n0.250087 0.250087 0.750536 O\n0.250087 0.749913 0.750536 O\n0.749913 0.250087 0.750536 O\n0.749913 0.749913 0.750536 O\n0.000000 0.253242 0.000000 O\n0.000000 0.746758 0.000000 O\n0.500000 0.246686 0.000000 O\n0.500000 0.753314 0.000000 O\n0.000000 0.250443 0.500000 O\n0.000000 0.749557 0.500000 O\n0.500000 0.249951 0.500000 O\n0.500000 0.750049 0.500000 O\n0.253242 0.000000 0.000000 O\n0.246686 0.500000 0.000000 O\n0.746758 0.000000 0.000000 O\n0.753314 0.500000 0.000000 O\n0.250443 0.000000 0.500000 O\n0.249951 0.500000 0.500000 O\n0.749557 0.000000 0.500000 O\n0.750049 0.500000 0.500000 O\n",
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{
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"structure_string": "Fe4 S6\n1.0\n5.211976 -2.867650 0.000000\n5.211976 2.867650 0.000000\n3.634183 0.000000 4.709651\nFe S\n4 6\ndirect\n0.845826 0.845826 0.845826 Fe\n0.654174 0.654174 0.654174 Fe\n0.154174 0.154174 0.154174 Fe\n0.345826 0.345826 0.345826 Fe\n0.750000 0.067411 0.432589 S\n0.432589 0.750000 0.067411 S\n0.067411 0.432589 0.750000 S\n0.250000 0.932589 0.567411 S\n0.932589 0.567411 0.250000 S\n0.567411 0.250000 0.932589 S\n",
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