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{
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{
"id": "mp-778010",
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"structure_string": "La4 Ta8 N4 O20\n1.0\n5.527844 0.000000 0.000000\n0.005100 7.741412 0.000000\n0.079838 0.006335 11.316943\nLa Ta N O\n4 8 4 20\ndirect\n0.446079 0.252215 0.965140 La\n0.950755 0.747598 0.536569 La\n0.043649 0.252329 0.454582 La\n0.551114 0.746241 0.041375 La\n0.962519 0.004101 0.858901 Ta\n0.959819 0.497460 0.859369 Ta\n0.456502 0.003601 0.643225 Ta\n0.458283 0.495494 0.642080 Ta\n0.536195 0.007285 0.356271 Ta\n0.536141 0.504627 0.349843 Ta\n0.049899 0.503468 0.146769 Ta\n0.037012 0.993482 0.142978 Ta\n0.047132 0.249138 0.852281 N\n0.453822 0.248568 0.359563 N\n0.373552 0.555892 0.207625 N\n0.949247 0.750927 0.144486 N\n0.228911 0.964390 0.975973 O\n0.229204 0.535858 0.973325 O\n0.849278 0.750230 0.874671 O\n0.626537 0.447381 0.786397 O\n0.628128 0.051699 0.786174 O\n0.133333 0.941806 0.710795 O\n0.133583 0.557932 0.710741 O\n0.544534 0.750298 0.643497 O\n0.353027 0.249160 0.623687 O\n0.733939 0.465516 0.531393 O\n0.727821 0.033066 0.526248 O\n0.270409 0.962784 0.479020 O\n0.272374 0.536028 0.479206 O\n0.654427 0.749077 0.383677 O\n0.873403 0.443006 0.291789 O\n0.871683 0.055536 0.290435 O\n0.369929 0.944822 0.211307 O\n0.145901 0.248926 0.119915 O\n0.771717 0.464132 0.018558 O\n0.770142 0.035933 0.022133 O\n",
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{
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"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.329952 0.000000 0.000000\n0.000000 8.329952 0.000000\n0.000000 0.000000 8.329952\nLi Mg Mn O\n8 4 12 32\ndirect\n0.496742 0.996742 0.503258 Li\n0.246742 0.246742 0.246742 Li\n0.253258 0.753258 0.746742 Li\n0.746742 0.253258 0.753258 Li\n0.996742 0.503258 0.496742 Li\n0.753258 0.746742 0.253258 Li\n0.503258 0.496742 0.996742 Li\n0.003258 0.003258 0.003258 Li\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.875000 0.375000 0.125000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.380136 0.869864 Mn\n0.375000 0.619864 0.369864 Mn\n0.630136 0.875000 0.880136 Mn\n0.619864 0.369864 0.375000 Mn\n0.380136 0.869864 0.125000 Mn\n0.880136 0.630136 0.875000 Mn\n0.875000 0.880136 0.630136 Mn\n0.625000 0.119864 0.130136 Mn\n0.119864 0.130136 0.625000 Mn\n0.130136 0.625000 0.119864 Mn\n0.369864 0.375000 0.619864 Mn\n0.869864 0.125000 0.380136 Mn\n0.124964 0.392664 0.099211 O\n0.607336 0.599211 0.375036 O\n0.392664 0.099211 0.124964 O\n0.624964 0.107336 0.900789 O\n0.099211 0.124964 0.392664 O\n0.365646 0.634354 0.134354 O\n0.150789 0.857336 0.125036 O\n0.875036 0.892664 0.400789 O\n0.400789 0.875036 0.892664 O\n0.599211 0.375036 0.607336 O\n0.384354 0.384354 0.384354 O\n0.374964 0.849211 0.357336 O\n0.900789 0.624964 0.107336 O\n0.857336 0.125036 0.150789 O\n0.892664 0.400789 0.875036 O\n0.142664 0.625036 0.349211 O\n0.650789 0.642664 0.874964 O\n0.615646 0.884354 0.115646 O\n0.357336 0.374964 0.849211 O\n0.874964 0.650789 0.642664 O\n0.625036 0.349211 0.142664 O\n0.634354 0.134354 0.365646 O\n0.849211 0.357336 0.374964 O\n0.884354 0.115646 0.615646 O\n0.115646 0.615646 0.884354 O\n0.375036 0.607336 0.599211 O\n0.107336 0.900789 0.624964 O\n0.349211 0.142664 0.625036 O\n0.134354 0.365646 0.634354 O\n0.642664 0.874964 0.650789 O\n0.865646 0.865646 0.865646 O\n0.125036 0.150789 0.857336 O\n",
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"formula_full": "Li8 Mg4 Mn12 O32",
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{
"id": "mp-570838",
"created_at": "2022-09-04T14:39:13.426653Z",
"structure_string": "Cd2 Hg8 As4 I8\n1.0\n13.428126 0.000000 0.000000\n0.000000 8.223313 0.000000\n0.000000 3.793447 7.399799\nCd Hg As I\n2 8 4 8\ndirect\n0.835822 0.000631 0.002034 Cd\n0.335822 0.999369 0.997966 Cd\n0.790701 0.673827 0.667817 Hg\n0.549773 0.027398 0.574116 Hg\n0.049773 0.972602 0.425884 Hg\n0.555076 0.513301 0.053994 Hg\n0.290701 0.326173 0.332183 Hg\n0.021547 0.474723 0.447729 Hg\n0.521547 0.525277 0.552271 Hg\n0.055076 0.486699 0.946006 Hg\n0.479408 0.348663 0.373308 As\n0.602629 0.689795 0.717737 As\n0.979408 0.651337 0.626692 As\n0.102629 0.310205 0.282263 As\n0.242601 0.323960 0.743943 I\n0.312725 0.708408 0.911595 I\n0.040286 0.885960 0.064574 I\n0.742601 0.676040 0.256057 I\n0.540286 0.114040 0.935426 I\n0.812725 0.291592 0.088405 I\n0.808162 0.119587 0.630127 I\n0.308162 0.880413 0.369873 I\n",
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"formula_full": "Cd2 Hg8 As4 I8",
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"spacegroup": 4
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{
"id": "mp-21766",
"created_at": "2022-09-04T14:39:13.427313Z",
"structure_string": "Ba8 In16 Se32\n1.0\n0.000000 11.486120 11.666128\n6.904605 0.000000 11.666128\n6.904605 11.486120 0.000000\nBa In Se\n8 16 32\ndirect\n0.497751 0.497751 0.002249 Ba\n0.002249 0.002249 0.497751 Ba\n0.752249 0.752249 0.247751 Ba\n0.247751 0.247751 0.752249 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.592729 0.157009 0.266128 In\n0.984135 0.266128 0.157009 In\n0.266128 0.984135 0.592729 In\n0.157009 0.592729 0.984135 In\n0.657271 0.092991 0.983872 In\n0.265865 0.983872 0.092991 In\n0.983872 0.265865 0.657271 In\n0.092991 0.657271 0.265865 In\n0.236978 0.511640 0.489088 In\n0.762294 0.489088 0.511640 In\n0.489088 0.762294 0.236978 In\n0.511640 0.236978 0.762294 In\n0.013022 0.738360 0.760912 In\n0.487706 0.760912 0.738360 In\n0.760912 0.487706 0.013022 In\n0.738360 0.013022 0.487706 In\n0.307199 0.440038 0.774422 Se\n0.478342 0.774422 0.440038 Se\n0.774422 0.478342 0.307199 Se\n0.440038 0.307199 0.478342 Se\n0.942801 0.809962 0.475578 Se\n0.771658 0.475578 0.809962 Se\n0.475578 0.771658 0.942801 Se\n0.809962 0.942801 0.771658 Se\n0.965403 0.786614 0.971586 Se\n0.276397 0.971586 0.786614 Se\n0.971586 0.276397 0.965403 Se\n0.786614 0.965403 0.276397 Se\n0.284597 0.463386 0.278414 Se\n0.973603 0.278414 0.463386 Se\n0.278414 0.973603 0.284597 Se\n0.463386 0.284597 0.973603 Se\n0.211927 0.209842 0.038289 Se\n0.539942 0.038289 0.209842 Se\n0.038289 0.539942 0.211927 Se\n0.209842 0.211927 0.539942 Se\n0.038073 0.040158 0.211711 Se\n0.710058 0.211711 0.040158 Se\n0.211711 0.710058 0.038073 Se\n0.040158 0.038073 0.710058 Se\n0.541145 0.537828 0.709230 Se\n0.211797 0.709230 0.537828 Se\n0.709230 0.211797 0.541145 Se\n0.537828 0.541145 0.211797 Se\n0.708855 0.712172 0.540770 Se\n0.038203 0.540770 0.712172 Se\n0.540770 0.038203 0.708855 Se\n0.712172 0.708855 0.038203 Se\n",
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"formula_full": "Ba8 In16 Se32",
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{
"id": "mp-13873",
"created_at": "2022-09-04T14:39:13.439214Z",
"structure_string": "Ca8 Ga16 Se32\n1.0\n0.000000 10.647412 10.695034\n6.419122 0.000000 10.695034\n6.419122 10.647412 0.000000\nCa Ga Se\n8 16 32\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.247888 0.247888 0.752112 Ca\n0.752112 0.752112 0.247888 Ca\n0.002112 0.002112 0.497888 Ca\n0.497888 0.497888 0.002112 Ca\n0.094832 0.655504 0.264074 Ga\n0.985590 0.264074 0.655504 Ga\n0.264074 0.985590 0.094832 Ga\n0.655504 0.094832 0.985590 Ga\n0.155168 0.594496 0.985926 Ga\n0.264410 0.985926 0.594496 Ga\n0.985926 0.264410 0.155168 Ga\n0.594496 0.155168 0.264410 Ga\n0.737979 0.013304 0.489343 Ga\n0.759373 0.489343 0.013304 Ga\n0.489343 0.759373 0.737979 Ga\n0.013304 0.737979 0.759373 Ga\n0.512021 0.236696 0.760657 Ga\n0.490627 0.760657 0.236696 Ga\n0.760657 0.490627 0.512021 Ga\n0.236696 0.512021 0.490627 Ga\n0.539794 0.536149 0.710739 Se\n0.213318 0.710739 0.536149 Se\n0.710739 0.213318 0.539794 Se\n0.536149 0.539794 0.213318 Se\n0.710206 0.713851 0.539261 Se\n0.036682 0.539261 0.713851 Se\n0.539261 0.036682 0.710206 Se\n0.713851 0.710206 0.036682 Se\n0.038784 0.036176 0.710784 Se\n0.214256 0.710784 0.036176 Se\n0.710784 0.214256 0.038784 Se\n0.036176 0.038784 0.214256 Se\n0.211216 0.213824 0.539216 Se\n0.035744 0.539216 0.213824 Se\n0.539216 0.035744 0.211216 Se\n0.213824 0.211216 0.035744 Se\n0.462932 0.284248 0.973520 Se\n0.279300 0.973520 0.284248 Se\n0.973520 0.279300 0.462932 Se\n0.284248 0.462932 0.279300 Se\n0.787068 0.965752 0.276480 Se\n0.970700 0.276480 0.965752 Se\n0.276480 0.970700 0.787068 Se\n0.965752 0.787068 0.970700 Se\n0.809364 0.943239 0.772840 Se\n0.474557 0.772840 0.943239 Se\n0.772840 0.474557 0.809364 Se\n0.943239 0.809364 0.474557 Se\n0.440636 0.306761 0.477160 Se\n0.775443 0.477160 0.306761 Se\n0.477160 0.775443 0.440636 Se\n0.306761 0.440636 0.775443 Se\n",
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"formula_full": "Ca8 Ga16 Se32",
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{
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{
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"structure_string": "K5 Sb4\n1.0\n2.766012 6.269179 0.000000\n-2.766012 6.269179 0.000000\n0.000000 4.213131 10.585867\nK Sb\n5 4\ndirect\n0.100538 0.100538 0.109594 K\n0.899396 0.899396 0.893465 K\n0.751993 0.751993 0.334542 K\n0.241812 0.241812 0.666753 K\n0.979395 0.979395 0.512807 K\n0.456878 0.456878 0.324096 Sb\n0.544608 0.544608 0.675230 Sb\n0.395147 0.395147 0.109306 Sb\n0.605233 0.605233 0.891507 Sb\n",
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{
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{
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