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{
"id": "mp-29603",
"created_at": "2022-09-04T14:45:43.304210Z",
"structure_string": "Rb8 Zr4 Te12\n1.0\n14.577324 0.000000 0.000000\n0.000000 6.997176 0.000000\n0.000000 3.081876 9.483516\nRb Zr Te\n8 4 12\ndirect\n0.954590 0.677988 0.648156 Rb\n0.454590 0.822012 0.351844 Rb\n0.045410 0.322012 0.351844 Rb\n0.545410 0.177988 0.648156 Rb\n0.864615 0.079729 0.905478 Rb\n0.364615 0.420271 0.094522 Rb\n0.135385 0.920271 0.094522 Rb\n0.635385 0.579729 0.905478 Rb\n0.748348 0.670553 0.296644 Zr\n0.248348 0.829447 0.703356 Zr\n0.251652 0.329447 0.703356 Zr\n0.751652 0.170553 0.296644 Zr\n0.912013 0.910371 0.273371 Te\n0.412013 0.589629 0.726629 Te\n0.087987 0.089629 0.726629 Te\n0.587987 0.410371 0.273371 Te\n0.811712 0.301028 0.526598 Te\n0.311712 0.198972 0.473402 Te\n0.188288 0.698972 0.473402 Te\n0.688288 0.801028 0.526598 Te\n0.849121 0.493214 0.094961 Te\n0.349121 0.006786 0.905039 Te\n0.150879 0.506786 0.905039 Te\n0.650879 0.993214 0.094961 Te\n",
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{
"id": "mp-1212907",
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"structure_string": "H20 Pb4 C8 S4 Br4 N24\n1.0\n11.785099 0.000000 0.000000\n0.000000 7.767330 0.000000\n0.000000 2.330359 9.713582\nH Pb C S Br N\n20 4 8 4 4 24\ndirect\n0.397378 0.360595 0.054010 H\n0.602622 0.639405 0.945990 H\n0.897378 0.139405 0.945990 H\n0.102622 0.860595 0.054010 H\n0.569033 0.835886 0.845524 H\n0.430967 0.164114 0.154476 H\n0.069033 0.664114 0.154476 H\n0.930967 0.335886 0.845524 H\n0.614654 0.835769 0.213122 H\n0.385346 0.164231 0.786878 H\n0.114654 0.664231 0.786878 H\n0.885346 0.335769 0.213122 H\n0.899742 0.783241 0.058967 H\n0.100258 0.216759 0.941033 H\n0.399742 0.716759 0.941033 H\n0.600258 0.283241 0.058967 H\n0.719736 0.787833 0.096740 H\n0.280264 0.212167 0.903260 H\n0.219736 0.712167 0.903260 H\n0.780264 0.287833 0.096740 H\n0.656947 0.570856 0.649192 Pb\n0.343053 0.429144 0.350808 Pb\n0.156947 0.929144 0.350808 Pb\n0.843053 0.070856 0.649192 Pb\n0.893351 0.874637 0.240676 C\n0.106649 0.125363 0.759324 C\n0.393351 0.625363 0.759324 C\n0.606649 0.374637 0.240676 C\n0.763730 0.910980 0.390568 C\n0.236270 0.089020 0.609432 C\n0.263730 0.589020 0.609432 C\n0.736270 0.410980 0.390568 C\n0.634043 0.919988 0.466485 S\n0.365957 0.080012 0.533515 S\n0.134043 0.580012 0.533515 S\n0.865957 0.419988 0.466485 S\n0.369388 0.815122 0.144963 Br\n0.630612 0.184878 0.855037 Br\n0.869388 0.684878 0.855037 Br\n0.130612 0.315122 0.144963 Br\n0.946689 0.921483 0.344349 N\n0.053311 0.078517 0.655651 N\n0.446689 0.578517 0.655651 N\n0.553311 0.421483 0.344349 N\n0.865692 0.943917 0.437472 N\n0.134308 0.056083 0.562528 N\n0.365692 0.556083 0.562528 N\n0.634308 0.443917 0.437472 N\n0.943599 0.845931 0.123686 N\n0.056401 0.154069 0.876314 N\n0.443599 0.654069 0.876314 N\n0.556401 0.345931 0.123686 N\n0.779782 0.867087 0.264911 N\n0.220218 0.132913 0.735089 N\n0.279782 0.632913 0.735089 N\n0.720218 0.367087 0.264911 N\n0.440235 0.298874 0.140966 N\n0.559765 0.701126 0.859034 N\n0.940235 0.201126 0.859034 N\n0.059765 0.798874 0.140966 N\n0.696109 0.828261 0.181551 N\n0.303891 0.171739 0.818449 N\n0.196109 0.671739 0.818449 N\n0.803891 0.328261 0.181551 N\n",
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"formula_full": "H20 Pb4 C8 S4 Br4 N24",
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},
{
"id": "mp-1213425",
"created_at": "2022-09-04T14:45:43.307989Z",
"structure_string": "Dy16 In4 Ir4\n1.0\n0.000000 6.837746 6.837746\n6.837746 0.000000 6.837746\n6.837746 6.837746 0.000000\nDy In Ir\n16 4 4\ndirect\n0.599130 0.599130 0.599130 Dy\n0.599130 0.599130 0.202610 Dy\n0.599130 0.202610 0.599130 Dy\n0.202610 0.599130 0.599130 Dy\n0.060489 0.439511 0.439511 Dy\n0.439511 0.060489 0.060489 Dy\n0.439511 0.060489 0.439511 Dy\n0.060489 0.439511 0.060489 Dy\n0.439511 0.439511 0.060489 Dy\n0.060489 0.060489 0.439511 Dy\n0.188439 0.811561 0.811561 Dy\n0.811561 0.188439 0.188439 Dy\n0.811561 0.188439 0.811561 Dy\n0.188439 0.811561 0.188439 Dy\n0.811561 0.811561 0.188439 Dy\n0.188439 0.188439 0.811561 Dy\n0.832777 0.832777 0.832777 In\n0.832777 0.832777 0.501669 In\n0.832777 0.501669 0.832777 In\n0.501669 0.832777 0.832777 In\n0.391518 0.391518 0.391518 Ir\n0.391518 0.391518 0.825447 Ir\n0.391518 0.825447 0.391518 Ir\n0.825447 0.391518 0.391518 Ir\n",
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"volume": 639.3944880270736,
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{
"id": "mp-1008702",
"created_at": "2022-09-04T14:45:43.314052Z",
"structure_string": "Ti2 In1\n1.0\n0.000000 3.255063 3.255063\n3.255063 0.000000 3.255063\n3.255063 3.255063 0.000000\nTi In\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 In\n",
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{
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"created_at": "2022-09-04T14:45:43.322823Z",
"structure_string": "Y1 Mg30 Ti1 O32\n1.0\n8.596458 0.000000 0.000000\n0.000000 8.596458 0.000000\n0.000000 0.000000 8.618410\nY Mg Ti O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.255239 0.256580 Mg\n0.000000 0.255239 0.743420 Mg\n0.000000 0.744761 0.256580 Mg\n0.000000 0.744761 0.743420 Mg\n0.500000 0.250208 0.251022 Mg\n0.500000 0.250208 0.748978 Mg\n0.500000 0.749792 0.251022 Mg\n0.500000 0.749792 0.748978 Mg\n0.255239 0.000000 0.256580 Mg\n0.255239 0.000000 0.743420 Mg\n0.250208 0.500000 0.251022 Mg\n0.250208 0.500000 0.748978 Mg\n0.744761 0.000000 0.256580 Mg\n0.744761 0.000000 0.743420 Mg\n0.749792 0.500000 0.251022 Mg\n0.749792 0.500000 0.748978 Mg\n0.255839 0.255839 0.000000 Mg\n0.250162 0.250162 0.500000 Mg\n0.255839 0.744161 0.000000 Mg\n0.250162 0.749838 0.500000 Mg\n0.744161 0.255839 0.000000 Mg\n0.749838 0.250162 0.500000 Mg\n0.744161 0.744161 0.000000 Mg\n0.749838 0.749838 0.500000 Mg\n0.000000 0.000000 0.500000 Ti\n0.261285 0.000000 0.000000 O\n0.261752 0.000000 0.500000 O\n0.251713 0.500000 0.000000 O\n0.251269 0.500000 0.500000 O\n0.738715 0.000000 0.000000 O\n0.738248 0.000000 0.500000 O\n0.748287 0.500000 0.000000 O\n0.748731 0.500000 0.500000 O\n0.249313 0.249313 0.249081 O\n0.249313 0.249313 0.750919 O\n0.249313 0.750687 0.249081 O\n0.249313 0.750687 0.750919 O\n0.750687 0.249313 0.249081 O\n0.750687 0.249313 0.750919 O\n0.750687 0.750687 0.249081 O\n0.750687 0.750687 0.750919 O\n0.000000 0.000000 0.253838 O\n0.000000 0.000000 0.746162 O\n0.000000 0.500000 0.250080 O\n0.000000 0.500000 0.749920 O\n0.500000 0.000000 0.250080 O\n0.500000 0.000000 0.749920 O\n0.500000 0.500000 0.249547 O\n0.500000 0.500000 0.750453 O\n0.000000 0.261285 0.000000 O\n0.000000 0.261752 0.500000 O\n0.000000 0.738715 0.000000 O\n0.000000 0.738248 0.500000 O\n0.500000 0.251713 0.000000 O\n0.500000 0.251269 0.500000 O\n0.500000 0.748287 0.000000 O\n0.500000 0.748731 0.500000 O\n",
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{
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{
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"structure_string": "Na1 V13 O18\n1.0\n6.579940 3.844240 2.470532\n-6.538210 3.782403 2.452346\n-0.032296 -7.582591 2.394985\nNa V O\n1 13 18\ndirect\n0.000099 0.999605 0.999439 Na\n0.081493 0.878364 0.580484 V\n0.426971 0.930308 0.129010 V\n0.345509 0.769734 0.400984 V\n0.226172 0.597821 0.645905 V\n0.120726 0.424685 0.923129 V\n0.605564 0.650776 0.231424 V\n0.492855 0.503551 0.499859 V\n0.402366 0.348652 0.770012 V\n0.882748 0.577976 0.078468 V\n0.763253 0.402506 0.346475 V\n0.640861 0.218563 0.587739 V\n0.583538 0.080333 0.879131 V\n0.924574 0.120733 0.423930 V\n0.289802 0.903905 0.842919 O\n0.150470 0.713923 0.092071 O\n0.047217 0.606255 0.374507 O\n0.625546 0.943886 0.391516 O\n0.520166 0.779858 0.682050 O\n0.385930 0.609170 0.937496 O\n0.326696 0.484247 0.221833 O\n0.213744 0.315996 0.485608 O\n0.114203 0.165775 0.728480 O\n0.906782 0.847395 0.287157 O\n0.782878 0.671337 0.521643 O\n0.667802 0.508899 0.782189 O\n0.615154 0.381571 0.058357 O\n0.479654 0.223635 0.318816 O\n0.380804 0.065232 0.616837 O\n0.933805 0.386090 0.608470 O\n0.840822 0.276965 0.892030 O\n0.721792 0.112252 0.162030 O\n",
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{
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"structure_string": "Hf1 Sc1 Tc2\n1.0\n0.000000 3.255117 3.255117\n3.255117 0.000000 3.255117\n3.255117 3.255117 0.000000\nHf Sc Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
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{
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"structure_string": "Li1 Co6 O7\n1.0\n3.369315 -3.964045 0.000000\n3.369315 3.964045 0.000000\n-1.294436 0.000000 5.038886\nLi Co O\n1 6 7\ndirect\n0.000000 0.000000 0.000000 Li\n0.282874 0.140295 0.570632 Co\n0.140295 0.570632 0.282874 Co\n0.429368 0.717126 0.859705 Co\n0.570632 0.282874 0.140295 Co\n0.717126 0.859705 0.429368 Co\n0.859705 0.429368 0.717126 Co\n0.071394 0.779480 0.633596 O\n0.500000 0.500000 0.500000 O\n0.220520 0.366404 0.928606 O\n0.928606 0.220520 0.366404 O\n0.366404 0.928606 0.220520 O\n0.633596 0.071394 0.779480 O\n0.779480 0.633596 0.071394 O\n",
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