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{
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{
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"structure_string": "Nd12 S6 O4 F16\n1.0\n3.875888 0.000000 0.000000\n0.000000 13.585869 0.000000\n0.000000 6.784024 11.879483\nNd S O F\n12 6 4 16\ndirect\n0.500000 0.055406 0.226846 Nd\n0.500000 0.717835 0.056350 Nd\n0.500000 0.236560 0.712223 Nd\n0.000000 0.947281 0.762309 Nd\n0.000000 0.291498 0.946077 Nd\n0.000000 0.763360 0.292947 Nd\n0.500000 0.388457 0.138176 Nd\n0.500000 0.473588 0.396744 Nd\n0.500000 0.137840 0.476571 Nd\n0.000000 0.602002 0.860286 Nd\n0.000000 0.524624 0.601792 Nd\n0.000000 0.857567 0.536283 Nd\n0.500000 0.728223 0.470872 S\n0.500000 0.802544 0.721910 S\n0.500000 0.472728 0.809737 S\n0.000000 0.275996 0.530920 S\n0.000000 0.186912 0.280723 S\n0.000000 0.533749 0.183451 S\n0.500000 0.433277 0.587106 O\n0.000000 0.016925 0.565005 O\n0.000000 0.416380 0.021317 O\n0.000000 0.568100 0.411514 O\n0.500000 0.333944 0.333305 F\n0.000000 0.662396 0.666451 F\n0.500000 0.894085 0.202787 F\n0.500000 0.902035 0.892301 F\n0.500000 0.205684 0.903567 F\n0.000000 0.105934 0.796042 F\n0.000000 0.096252 0.103865 F\n0.000000 0.800324 0.097324 F\n0.500000 0.246776 0.072096 F\n0.500000 0.682941 0.247385 F\n0.500000 0.069678 0.681594 F\n0.000000 0.747555 0.928683 F\n0.000000 0.320548 0.753936 F\n0.000000 0.932607 0.322093 F\n0.500000 0.978002 0.433401 F\n0.500000 0.590386 0.976010 F\n",
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{
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"created_at": "2022-09-04T14:40:10.116906Z",
"structure_string": "Mg6 Si8\n1.0\n5.341191 0.000000 0.000000\n-1.182624 6.317713 0.000000\n-0.383838 -1.434734 8.181638\nMg Si\n6 8\ndirect\n0.113035 0.858053 0.470289 Mg\n0.405300 0.582136 0.780489 Mg\n0.908352 0.318070 0.812414 Mg\n0.479898 0.280254 0.063595 Mg\n0.556817 0.561996 0.408039 Mg\n0.647590 0.090492 0.400131 Mg\n0.016800 0.449382 0.510466 Si\n0.418243 0.140334 0.733184 Si\n0.538489 0.733738 0.125194 Si\n0.095562 0.695120 0.039893 Si\n0.075263 0.922182 0.837658 Si\n0.880006 0.036048 0.085780 Si\n0.694034 0.885963 0.663312 Si\n0.177147 0.192854 0.316286 Si\n",
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{
"id": "mp-1204016",
"created_at": "2022-09-04T14:40:10.120154Z",
"structure_string": "Ba2 H16 I4 O24\n1.0\n6.457207 4.039512 -0.520046\n6.457207 -4.039512 -0.520046\n0.090611 0.000000 -9.611106\nBa H I O\n2 16 4 24\ndirect\n0.565334 0.434665 0.250000 Ba\n0.434665 0.565334 0.750000 Ba\n0.573916 0.192372 0.995912 H\n0.807628 0.426084 0.504088 H\n0.426084 0.807628 0.004088 H\n0.192372 0.573916 0.495912 H\n0.770903 0.217197 0.962323 H\n0.782803 0.229097 0.537677 H\n0.229097 0.782803 0.037677 H\n0.217197 0.770903 0.462323 H\n0.048713 0.551091 0.280979 H\n0.448909 0.951287 0.219021 H\n0.951287 0.448909 0.719021 H\n0.551091 0.048713 0.780979 H\n0.124955 0.127122 0.895284 H\n0.872878 0.875045 0.604716 H\n0.875045 0.872878 0.104716 H\n0.127122 0.124955 0.395284 H\n0.110581 0.316563 0.102430 I\n0.683437 0.889419 0.397570 I\n0.889419 0.683437 0.897570 I\n0.316563 0.110581 0.602430 I\n0.627609 0.287898 0.972609 O\n0.712102 0.372391 0.527391 O\n0.372391 0.712102 0.027391 O\n0.287898 0.627609 0.472609 O\n0.157943 0.459605 0.931026 O\n0.540395 0.842057 0.568974 O\n0.842057 0.540395 0.068974 O\n0.459605 0.157943 0.431026 O\n0.995439 0.241407 0.252356 O\n0.758593 0.004561 0.247644 O\n0.004561 0.758593 0.747644 O\n0.241407 0.995439 0.752356 O\n0.164328 0.492297 0.211959 O\n0.507703 0.835672 0.288041 O\n0.835672 0.507703 0.788041 O\n0.492297 0.164328 0.711959 O\n0.039727 0.164969 0.984030 O\n0.835031 0.960273 0.515970 O\n0.960273 0.835031 0.015970 O\n0.164969 0.039727 0.484030 O\n0.366159 0.141119 0.101955 O\n0.858881 0.633841 0.398045 O\n0.633841 0.858881 0.898045 O\n0.141119 0.366159 0.601955 O\n",
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"formula_full": "Ba2 H16 I4 O24",
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{
"id": "mp-571437",
"created_at": "2022-09-04T14:40:07.678617Z",
"structure_string": "La40 C40 Cl26\n1.0\n6.949685 0.000443 0.000000\n-1.924386 7.581365 0.000000\n0.000000 0.000000 43.179397\nLa C Cl\n40 40 26\ndirect\n0.392950 0.857089 0.771681 La\n0.362668 0.835696 0.171848 La\n0.891571 0.705609 0.929961 La\n0.873436 0.915941 0.422626 La\n0.118416 0.224189 0.480019 La\n0.885341 0.783527 0.822846 La\n0.373436 0.915941 0.077374 La\n0.107050 0.142911 0.271681 La\n0.123717 0.154844 0.972656 La\n0.637332 0.164304 0.828152 La\n0.137332 0.164304 0.671848 La\n0.124101 0.238190 0.780039 La\n0.623717 0.154844 0.527344 La\n0.114659 0.216473 0.177154 La\n0.376283 0.845156 0.472656 La\n0.391571 0.705609 0.570039 La\n0.607050 0.142911 0.228319 La\n0.381584 0.775811 0.980019 La\n0.608429 0.294391 0.429961 La\n0.881584 0.775811 0.519981 La\n0.892950 0.857089 0.728319 La\n0.385341 0.783527 0.677154 La\n0.600595 0.291502 0.130233 La\n0.399405 0.708498 0.869767 La\n0.626564 0.084059 0.922626 La\n0.127894 0.089989 0.878970 La\n0.899405 0.708498 0.630233 La\n0.872106 0.910011 0.121030 La\n0.875899 0.761810 0.219961 La\n0.614659 0.216473 0.322846 La\n0.372106 0.910011 0.378970 La\n0.100595 0.291502 0.369767 La\n0.624101 0.238190 0.719961 La\n0.126564 0.084059 0.577374 La\n0.876283 0.845156 0.027344 La\n0.627894 0.089989 0.621030 La\n0.618416 0.224189 0.019981 La\n0.108429 0.294391 0.070039 La\n0.862668 0.835696 0.328152 La\n0.375899 0.761810 0.280039 La\n0.719687 0.020368 0.984903 C\n0.712787 0.019744 0.285536 C\n0.217153 0.141377 0.113240 C\n0.761572 0.912429 0.263651 C\n0.219687 0.020368 0.515097 C\n0.269009 0.043041 0.436151 C\n0.267413 0.966819 0.316230 C\n0.217765 0.146374 0.414034 C\n0.780313 0.979632 0.484903 C\n0.238428 0.087571 0.736349 C\n0.235528 0.967783 0.635018 C\n0.782847 0.858623 0.886760 C\n0.738428 0.087571 0.763651 C\n0.282847 0.858623 0.613240 C\n0.720308 0.094029 0.465805 C\n0.287213 0.980256 0.714464 C\n0.261572 0.912429 0.236349 C\n0.289675 0.915827 0.834332 C\n0.717153 0.141377 0.386760 C\n0.735528 0.967783 0.864982 C\n0.769009 0.043041 0.063849 C\n0.282235 0.853626 0.914034 C\n0.779692 0.905971 0.965805 C\n0.232587 0.033181 0.816230 C\n0.220308 0.094029 0.034195 C\n0.782235 0.853626 0.585966 C\n0.280313 0.979632 0.015097 C\n0.732587 0.033181 0.683770 C\n0.710325 0.084173 0.165668 C\n0.279692 0.905971 0.534195 C\n0.212787 0.019744 0.214464 C\n0.210325 0.084173 0.334332 C\n0.264472 0.032217 0.135018 C\n0.730991 0.956959 0.563849 C\n0.764472 0.032217 0.364982 C\n0.787213 0.980256 0.785536 C\n0.717765 0.146374 0.085966 C\n0.789675 0.915827 0.665668 C\n0.230991 0.956959 0.936151 C\n0.767413 0.966819 0.183770 C\n-0.000084 0.476705 0.308289 Cl\n0.976318 0.642311 0.079479 Cl\n1.000084 0.523295 0.691711 Cl\n0.476318 0.642311 0.420521 Cl\n0.477298 0.585305 0.038097 Cl\n0.995973 0.590194 0.769147 Cl\n0.500084 0.523295 0.808289 Cl\n0.023682 0.357689 0.920521 Cl\n0.476368 0.578038 0.342629 Cl\n0.022702 0.414695 0.538097 Cl\n0.000000 0.500000 0.000000 Cl\n0.473843 0.642150 0.117383 Cl\n0.023632 0.421962 0.842629 Cl\n0.526157 0.357850 0.882617 Cl\n0.523682 0.357689 0.579479 Cl\n0.495973 0.590194 0.730853 Cl\n0.522702 0.414695 0.961903 Cl\n0.976368 0.578038 0.157371 Cl\n0.004027 0.409806 0.230853 Cl\n0.499916 0.476705 0.191711 Cl\n0.504027 0.409806 0.269147 Cl\n0.523632 0.421962 0.657371 Cl\n0.026157 0.357850 0.617383 Cl\n0.500000 0.500000 0.500000 Cl\n0.973843 0.642150 0.382617 Cl\n0.977298 0.585305 0.461903 Cl\n",
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},
{
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