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{
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{
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{
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"structure_string": "Ba4 Sr4 Pr4 Sb4 O24\n1.0\n8.605540 0.000000 0.000000\n0.000000 8.610120 0.000000\n0.000000 0.000000 8.619196\nBa Sr Pr Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.748970 0.747847 0.749492 Pr\n0.251030 0.252153 0.749492 Pr\n0.251030 0.747847 0.250508 Pr\n0.748970 0.252153 0.250508 Pr\n0.249566 0.253833 0.250804 Sb\n0.750434 0.746167 0.250804 Sb\n0.750434 0.253833 0.749196 Sb\n0.249566 0.746167 0.749196 Sb\n0.018601 0.225502 0.277957 O\n0.981399 0.774498 0.277957 O\n0.981399 0.225502 0.722043 O\n0.018601 0.774498 0.722043 O\n0.273782 0.021034 0.221459 O\n0.273782 0.978966 0.778541 O\n0.726218 0.978966 0.221459 O\n0.726218 0.021034 0.778541 O\n0.216549 0.285344 0.019758 O\n0.783451 0.285344 0.980242 O\n0.216549 0.714656 0.980242 O\n0.783451 0.714656 0.019758 O\n0.479282 0.288205 0.215156 O\n0.520718 0.711795 0.215156 O\n0.520718 0.288205 0.784844 O\n0.479282 0.711795 0.784844 O\n0.217847 0.481632 0.290590 O\n0.217847 0.518368 0.709410 O\n0.782153 0.518368 0.290590 O\n0.782153 0.481632 0.709410 O\n0.289519 0.219210 0.480095 O\n0.710481 0.219210 0.519905 O\n0.289519 0.780790 0.519905 O\n0.710481 0.780790 0.480095 O\n",
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"formula_full": "Ba4 Sr4 Pr4 Sb4 O24",
"formula_reduced": "BaSrPrSbO6",
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"spacegroup": 16
},
{
"id": "mp-1342933",
"created_at": "2022-09-04T14:43:43.743602Z",
"structure_string": "Mg4 Ti2 Ir2 O12\n1.0\n5.327523 0.000000 0.000000\n0.000000 5.150979 0.000000\n0.000000 5.104868 7.523798\nMg Ti Ir O\n4 2 2 12\ndirect\n0.942407 0.239994 0.750070 Mg\n0.442407 0.760006 0.749930 Mg\n0.557593 0.239994 0.250070 Mg\n0.057593 0.760006 0.249930 Mg\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.435720 0.621246 0.248162 O\n0.189589 0.892012 0.930230 O\n0.183549 0.249023 0.566563 O\n0.683549 0.750977 0.933437 O\n0.689589 0.107988 0.569770 O\n0.935720 0.378754 0.251838 O\n0.064280 0.621246 0.748162 O\n0.310411 0.892012 0.430230 O\n0.316451 0.249023 0.066563 O\n0.810411 0.107988 0.069770 O\n0.816451 0.750977 0.433437 O\n0.564280 0.378754 0.751838 O\n",
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{
"id": "mp-1246206",
"created_at": "2022-09-04T14:43:43.864184Z",
"structure_string": "Ba6 Bi4 N8\n1.0\n8.646176 -1.343821 -0.501240\n-7.872019 10.059490 0.000000\n-0.530596 -0.415216 6.278155\nBa Bi N\n6 4 8\ndirect\n0.223597 0.005282 0.043581 Ba\n0.776403 0.781685 0.456419 Ba\n0.776403 0.994718 0.956419 Ba\n0.223597 0.218315 0.543581 Ba\n0.000000 0.605012 0.750000 Ba\n0.000000 0.394988 0.250000 Ba\n0.578659 0.179057 0.634222 Bi\n0.421341 0.600398 0.865778 Bi\n0.421341 0.820943 0.365778 Bi\n0.578659 0.399602 0.134222 Bi\n0.213971 0.007409 0.585902 N\n0.786029 0.793438 0.914098 N\n0.786029 0.992591 0.414098 N\n0.213971 0.206562 0.085902 N\n0.688151 0.322199 0.939147 N\n0.311849 0.634048 0.560853 N\n0.311849 0.677801 0.060853 N\n0.688151 0.365952 0.439147 N\n",
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{
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"structure_string": "Ta6 Cu4 S12\n1.0\n1.681402 -8.694712 0.000000\n1.681402 8.694712 0.000000\n0.000000 0.000000 13.222370\nTa Cu S\n6 4 12\ndirect\n0.278008 0.721992 0.250892 Ta\n0.609269 0.390731 0.250159 Ta\n0.944052 0.055948 0.248836 Ta\n0.721992 0.278008 0.750892 Ta\n0.055948 0.944052 0.748836 Ta\n0.390731 0.609269 0.750159 Ta\n0.278403 0.721597 0.037577 Cu\n0.054289 0.945711 0.962450 Cu\n0.721597 0.278403 0.537577 Cu\n0.945711 0.054289 0.462450 Cu\n0.280349 0.719651 0.631471 S\n0.608139 0.391861 0.630021 S\n0.944111 0.055889 0.630918 S\n0.721462 0.278538 0.368557 S\n0.057822 0.942178 0.369189 S\n0.386129 0.613871 0.369930 S\n0.719651 0.280349 0.131471 S\n0.055889 0.944111 0.130918 S\n0.391861 0.608139 0.130021 S\n0.278538 0.721462 0.868557 S\n0.613871 0.386129 0.869930 S\n0.942178 0.057822 0.869189 S\n",
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{
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"structure_string": "Ba1 Ga2 Ge1 S6\n1.0\n6.303771 0.000000 0.000000\n-1.082369 6.258583 0.000000\n-1.230364 -1.390913 6.125055\nBa Ga Ge S\n1 2 1 6\ndirect\n0.056727 0.056865 0.060529 Ba\n0.515820 0.665107 0.243983 Ga\n0.247504 0.525247 0.659409 Ga\n0.663255 0.243827 0.520120 Ge\n0.926525 0.471231 0.791283 S\n0.796984 0.936898 0.481763 S\n0.477284 0.794768 0.931554 S\n0.335878 0.183990 0.608931 S\n0.615230 0.328398 0.191703 S\n0.179632 0.608509 0.325565 S\n",
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{
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"structure_string": "K9 U6 Bi1 O24\n1.0\n8.767100 0.000000 0.000000\n0.000000 8.767100 0.000000\n0.000000 0.000000 8.767100\nK U Bi O\n9 6 1 24\ndirect\n0.000000 0.000000 0.000000 K\n0.752347 0.752347 0.752347 K\n0.247653 0.247653 0.752347 K\n0.752347 0.247653 0.247653 K\n0.247653 0.247653 0.247653 K\n0.247653 0.752347 0.247653 K\n0.752347 0.247653 0.752347 K\n0.247653 0.752347 0.752347 K\n0.752347 0.752347 0.247653 K\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.500000 Bi\n0.284978 0.000000 0.000000 O\n0.500000 0.254955 0.000000 O\n0.000000 0.715022 0.000000 O\n0.500000 0.000000 0.254955 O\n0.500000 0.500000 0.230652 O\n0.000000 0.500000 0.254955 O\n0.000000 0.284978 0.000000 O\n0.254955 0.000000 0.500000 O\n0.500000 0.500000 0.769348 O\n0.745045 0.000000 0.500000 O\n0.000000 0.500000 0.745045 O\n0.500000 0.000000 0.745045 O\n0.715022 0.000000 0.000000 O\n0.000000 0.745045 0.500000 O\n0.500000 0.769348 0.500000 O\n0.500000 0.230652 0.500000 O\n0.000000 0.254955 0.500000 O\n0.769348 0.500000 0.500000 O\n0.254955 0.500000 0.000000 O\n0.745045 0.500000 0.000000 O\n0.000000 0.000000 0.284978 O\n0.500000 0.745045 0.000000 O\n0.230652 0.500000 0.500000 O\n0.000000 0.000000 0.715022 O\n",
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{
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"structure_string": "Tb2 Co1 Ge6\n1.0\n4.069809 0.000000 0.000000\n0.000000 3.995671 0.000000\n0.000000 -1.997835 10.763470\nTb Co Ge\n2 1 6\ndirect\n0.500000 0.222358 0.444716 Tb\n0.500000 0.886819 0.773638 Tb\n0.000000 0.445208 0.890416 Co\n0.500000 0.499863 0.999726 Ge\n0.500000 0.616052 0.232103 Ge\n0.000000 0.000842 0.001685 Ge\n0.000000 0.117864 0.235728 Ge\n0.000000 0.338853 0.677705 Ge\n0.000000 0.765142 0.530283 Ge\n",
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{
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{
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}