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{
"id": "mp-1200964",
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"structure_string": "Pr4 H8 C8 Cl8 O36\n1.0\n7.320066 0.000000 0.000000\n0.000000 8.334989 0.000000\n-6.263859 0.000000 14.418839\nPr H C Cl O\n4 8 8 8 36\ndirect\n0.343015 0.255314 0.093771 Pr\n0.656985 0.755314 0.406229 Pr\n0.656985 0.744686 0.906229 Pr\n0.343015 0.244686 0.593771 Pr\n0.058106 0.074478 0.912815 H\n0.941894 0.574478 0.587185 H\n0.941894 0.925522 0.087185 H\n0.058106 0.425522 0.412815 H\n0.271083 0.049168 0.914806 H\n0.728917 0.549168 0.585194 H\n0.728917 0.950832 0.085194 H\n0.271083 0.450832 0.414806 H\n0.649610 0.446979 0.282385 C\n0.350390 0.946979 0.217615 C\n0.350390 0.553021 0.717615 C\n0.649610 0.053021 0.782385 C\n0.443045 0.442676 0.289691 C\n0.556955 0.942676 0.210309 C\n0.556955 0.557324 0.710309 C\n0.443045 0.057324 0.789691 C\n0.964995 0.185237 0.275205 Cl\n0.035005 0.685237 0.224795 Cl\n0.035005 0.814763 0.724795 Cl\n0.964995 0.314763 0.775205 Cl\n0.249375 0.629650 0.000969 Cl\n0.750625 0.129650 0.499031 Cl\n0.750625 0.370350 0.999031 Cl\n0.249375 0.870350 0.500969 Cl\n0.315264 0.604803 0.100684 O\n0.684736 0.104803 0.399316 O\n0.684736 0.395197 0.899316 O\n0.315264 0.895197 0.600684 O\n0.246522 0.470759 0.959039 O\n0.753478 0.970759 0.540961 O\n0.753478 0.529241 0.040961 O\n0.246522 0.029241 0.459039 O\n0.199920 0.088311 0.952853 O\n0.800080 0.588311 0.547147 O\n0.800080 0.911689 0.047147 O\n0.199920 0.411689 0.452853 O\n0.386130 0.736090 0.981837 O\n0.613870 0.236090 0.518163 O\n0.613870 0.263910 0.018163 O\n0.386130 0.763910 0.481837 O\n0.213799 0.024860 0.155557 O\n0.786201 0.524860 0.344443 O\n0.786201 0.975140 0.844443 O\n0.213799 0.475140 0.655557 O\n0.569890 0.025385 0.144927 O\n0.430110 0.525385 0.355073 O\n0.430110 0.974615 0.855073 O\n0.569890 0.474615 0.644927 O\n0.051770 0.700754 0.963145 O\n0.948230 0.200754 0.536855 O\n0.948230 0.299246 0.036855 O\n0.051770 0.799246 0.463145 O\n0.659520 0.366290 0.215881 O\n0.340480 0.866290 0.284119 O\n0.340480 0.633710 0.784119 O\n0.659520 0.133710 0.715881 O\n0.311087 0.355299 0.232672 O\n0.688913 0.855299 0.267328 O\n0.688913 0.644701 0.767328 O\n0.311087 0.144701 0.732672 O\n",
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"spacegroup": 14
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{
"id": "mp-757781",
"created_at": "2022-09-04T14:41:35.699507Z",
"structure_string": "Li4 Si8 Bi12 O36\n1.0\n10.726271 0.000000 0.000000\n0.000000 7.647219 0.000000\n0.000000 0.081854 10.724962\nLi Si Bi O\n4 8 12 36\ndirect\n0.460279 0.125977 0.645679 Li\n0.039721 0.125977 0.145679 Li\n0.960279 0.874023 0.854321 Li\n0.539721 0.874023 0.354321 Li\n0.127752 0.175175 0.695700 Si\n0.372248 0.175175 0.195700 Si\n0.627808 0.395465 0.810443 Si\n0.872192 0.395465 0.310443 Si\n0.127808 0.604535 0.689557 Si\n0.372192 0.604535 0.189557 Si\n0.627752 0.824825 0.804300 Si\n0.872248 0.824825 0.304300 Si\n0.802351 0.118648 0.590720 Bi\n0.697649 0.118648 0.090720 Bi\n0.935886 0.335245 0.897875 Bi\n0.299434 0.365617 0.909301 Bi\n0.564114 0.335245 0.397875 Bi\n0.200566 0.365617 0.409301 Bi\n0.799434 0.634383 0.590699 Bi\n0.435886 0.664755 0.602125 Bi\n0.700566 0.634383 0.090699 Bi\n0.064114 0.664755 0.102125 Bi\n0.302351 0.881352 0.909280 Bi\n0.197649 0.881352 0.409280 Bi\n0.996750 0.110600 0.759406 O\n0.503250 0.110600 0.259406 O\n0.615657 0.123168 0.519966 O\n0.251261 0.104750 0.772000 O\n0.884343 0.123168 0.019966 O\n0.248739 0.104750 0.272000 O\n0.134952 0.149792 0.544096 O\n0.365048 0.149792 0.044096 O\n0.495808 0.313611 0.773707 O\n0.004192 0.313611 0.273707 O\n0.386463 0.357697 0.497927 O\n0.748709 0.328756 0.726674 O\n0.113537 0.357697 0.997927 O\n0.751291 0.328756 0.226674 O\n0.665023 0.384737 0.960193 O\n0.130730 0.389509 0.723716 O\n0.834977 0.384737 0.460193 O\n0.369270 0.389509 0.223716 O\n0.630730 0.610491 0.776284 O\n0.165023 0.615263 0.539807 O\n0.869270 0.610491 0.276284 O\n0.334977 0.615263 0.039807 O\n0.248709 0.671244 0.773326 O\n0.886463 0.642303 0.002073 O\n0.251291 0.671244 0.273326 O\n0.613537 0.642303 0.502073 O\n0.995808 0.686389 0.726293 O\n0.504192 0.686389 0.226293 O\n0.634952 0.850208 0.955904 O\n0.865048 0.850208 0.455904 O\n0.751261 0.895250 0.728000 O\n0.115657 0.876832 0.980034 O\n0.748739 0.895250 0.228000 O\n0.384343 0.876832 0.480034 O\n0.496750 0.889400 0.740594 O\n0.003250 0.889400 0.240594 O\n",
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"formula_full": "Li4 Si8 Bi12 O36",
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"spacegroup": 14
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{
"id": "mp-772533",
"created_at": "2022-09-04T14:45:40.053182Z",
"structure_string": "Fe8 P8 O32 F8\n1.0\n6.330966 0.000000 0.000000\n0.000000 10.851882 0.000000\n0.000000 0.000000 12.803997\nFe P O F\n8 8 32 8\ndirect\n0.750000 0.750000 0.862200 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.137800 Fe\n0.250000 0.750000 0.362200 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.250000 0.637800 Fe\n0.583451 0.000000 0.750000 P\n0.250000 0.750000 0.936061 P\n0.750000 0.250000 0.063939 P\n0.083451 0.500000 0.250000 P\n0.416549 0.000000 0.250000 P\n0.750000 0.750000 0.436061 P\n0.250000 0.250000 0.563939 P\n0.916549 0.500000 0.750000 P\n0.771445 0.615368 0.757478 O\n0.728555 0.884632 0.757478 O\n0.056531 0.485354 0.846619 O\n0.443469 0.014646 0.846619 O\n0.059894 0.775654 0.863340 O\n0.440106 0.724346 0.863340 O\n0.707858 0.137004 0.992620 O\n0.792142 0.362996 0.992620 O\n0.292142 0.862996 0.007380 O\n0.207858 0.637004 0.007380 O\n0.940106 0.224346 0.136660 O\n0.559894 0.275654 0.136660 O\n0.943469 0.514646 0.153381 O\n0.556531 0.985354 0.153381 O\n0.228555 0.384632 0.242522 O\n0.271445 0.115368 0.242522 O\n0.228555 0.615368 0.257478 O\n0.271445 0.884632 0.257478 O\n0.943469 0.485354 0.346619 O\n0.556531 0.014646 0.346619 O\n0.940106 0.775654 0.363340 O\n0.559894 0.724346 0.363340 O\n0.292142 0.137004 0.492620 O\n0.207858 0.362996 0.492620 O\n0.707858 0.862996 0.507380 O\n0.792142 0.637004 0.507380 O\n0.059894 0.224346 0.636660 O\n0.440106 0.275654 0.636660 O\n0.056531 0.514646 0.653381 O\n0.443469 0.985354 0.653381 O\n0.771445 0.384632 0.742522 O\n0.728555 0.115368 0.742522 O\n0.722464 0.876216 0.974199 F\n0.777536 0.623784 0.974199 F\n0.277536 0.123784 0.025801 F\n0.222464 0.376216 0.025801 F\n0.277536 0.876216 0.474199 F\n0.222464 0.623784 0.474199 F\n0.722464 0.123784 0.525801 F\n0.777536 0.376216 0.525801 F\n",
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{
"id": "mp-1041479",
"created_at": "2022-09-04T14:40:17.887890Z",
"structure_string": "Mg8 Cu8 Si16 O48\n1.0\n5.282664 0.000000 0.000000\n0.000000 9.038806 0.000000\n0.000000 0.000000 18.422464\nMg Cu Si O\n8 8 16 48\ndirect\n0.613771 0.152084 0.375786 Mg\n0.386229 0.847916 0.624214 Mg\n0.613771 0.652084 0.124214 Mg\n0.113771 0.847916 0.124214 Mg\n0.886229 0.152084 0.875786 Mg\n0.386229 0.347916 0.875786 Mg\n0.113771 0.347916 0.375786 Mg\n0.886229 0.652084 0.624214 Mg\n0.380361 0.992522 0.875515 Cu\n0.619639 0.007478 0.124485 Cu\n0.880361 0.007478 0.624485 Cu\n0.119639 0.992522 0.375515 Cu\n0.380361 0.492522 0.624485 Cu\n0.619639 0.507478 0.375515 Cu\n0.880361 0.507478 0.875515 Cu\n0.119639 0.492522 0.124485 Cu\n0.574495 0.661858 0.774258 Si\n0.727004 0.836207 0.473908 Si\n0.772996 0.836207 0.973908 Si\n0.925505 0.161858 0.225742 Si\n0.074495 0.338142 0.725742 Si\n0.425505 0.838142 0.274258 Si\n0.227004 0.663793 0.473908 Si\n0.727004 0.336207 0.026092 Si\n0.772996 0.336207 0.526092 Si\n0.925505 0.661858 0.274258 Si\n0.425505 0.338142 0.225742 Si\n0.574495 0.161858 0.725742 Si\n0.272996 0.163793 0.526092 Si\n0.074495 0.838142 0.774258 Si\n0.272996 0.663793 0.973908 Si\n0.227004 0.163793 0.026092 Si\n0.919106 0.500472 0.313700 O\n0.309566 0.013520 0.068560 O\n0.080894 0.499528 0.686300 O\n0.716970 0.339466 0.936782 O\n0.216970 0.160534 0.936782 O\n0.933294 0.207210 0.050656 O\n0.932971 0.666266 0.186270 O\n0.067029 0.833734 0.686270 O\n0.716970 0.839466 0.563218 O\n0.932971 0.166266 0.313730 O\n0.419106 0.499528 0.186300 O\n0.783030 0.339466 0.436782 O\n0.690434 0.986480 0.931440 O\n0.432971 0.833734 0.186270 O\n0.580894 0.000472 0.686300 O\n0.309566 0.513520 0.431440 O\n0.419106 0.999528 0.313700 O\n0.158853 0.764988 0.305638 O\n0.341147 0.764988 0.805638 O\n0.566706 0.707210 0.949344 O\n0.783030 0.839466 0.063218 O\n0.567029 0.666266 0.686270 O\n0.809566 0.486480 0.068560 O\n0.158853 0.264988 0.194362 O\n0.283030 0.160534 0.436782 O\n0.567029 0.166266 0.813730 O\n0.690434 0.486480 0.568560 O\n0.216970 0.660534 0.563218 O\n0.190434 0.513520 0.931440 O\n0.658853 0.735012 0.305638 O\n0.080894 0.999528 0.813700 O\n0.841147 0.735012 0.805638 O\n0.841147 0.235012 0.694362 O\n0.809566 0.986480 0.431440 O\n0.283030 0.660534 0.063218 O\n0.190434 0.013520 0.568560 O\n0.341147 0.264988 0.694362 O\n0.066706 0.792790 0.949344 O\n0.433294 0.792790 0.449344 O\n0.658853 0.235012 0.194362 O\n0.433294 0.292790 0.050656 O\n0.566706 0.207210 0.550656 O\n0.066706 0.292790 0.550656 O\n0.432971 0.333734 0.313730 O\n0.580894 0.500472 0.813700 O\n0.933294 0.707210 0.449344 O\n0.067029 0.333734 0.813730 O\n0.919106 0.000472 0.186300 O\n",
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{
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{
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{
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{
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