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{
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{
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{
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"structure_string": "Pm1 In3\n1.0\n4.705437 0.000000 0.000000\n0.000000 4.705437 0.000000\n0.000000 0.000000 4.705437\nPm In\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
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{
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"structure_string": "Li24 Ti8 N16\n1.0\n8.445883 0.000000 0.000000\n5.630588 7.962854 0.000000\n-5.630588 3.981428 6.896034\nLi Ti N\n24 8 16\ndirect\n0.219122 0.046349 0.993840 Li\n0.780878 0.765470 0.506160 Li\n0.780878 0.453651 0.774719 Li\n0.219122 0.734530 0.725281 Li\n0.231440 0.774719 0.271630 Li\n0.768560 0.725281 0.040190 Li\n0.231440 0.993840 0.459810 Li\n0.768560 0.506160 0.228370 Li\n0.688180 0.040190 0.734530 Li\n0.688180 0.271630 0.453651 Li\n0.311820 0.228370 0.765470 Li\n0.311820 0.459810 0.046349 Li\n0.780878 0.953651 0.006160 Li\n0.219122 0.234530 0.493840 Li\n0.219122 0.546349 0.225281 Li\n0.780878 0.265470 0.274719 Li\n0.768560 0.225281 0.728370 Li\n0.231440 0.274719 0.959810 Li\n0.768560 0.006160 0.540190 Li\n0.231440 0.493840 0.771630 Li\n0.311820 0.959810 0.265470 Li\n0.311820 0.728370 0.546349 Li\n0.688180 0.771630 0.234530 Li\n0.688180 0.540190 0.953651 Li\n0.234875 0.000000 0.734875 Ti\n0.765125 0.734875 0.765125 Ti\n0.765125 0.500000 0.500000 Ti\n0.234875 0.765125 0.000000 Ti\n0.765125 0.000000 0.265125 Ti\n0.234875 0.265125 0.234875 Ti\n0.234875 0.500000 0.500000 Ti\n0.765125 0.234875 0.000000 Ti\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.976194 0.750000 N\n0.500000 0.523806 0.250000 N\n0.000000 0.250000 0.726194 N\n0.000000 0.750000 0.773806 N\n0.547611 0.726194 0.523806 N\n0.452389 0.773806 0.976194 N\n0.500000 0.023806 0.250000 N\n0.500000 0.476194 0.750000 N\n0.000000 0.750000 0.273806 N\n0.000000 0.250000 0.226194 N\n0.452389 0.273806 0.476194 N\n0.547611 0.226194 0.023806 N\n",
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"formula_full": "Li24 Ti8 N16",
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{
"id": "mp-667381",
"created_at": "2022-09-04T14:45:58.351207Z",
"structure_string": "Ba12 Ce8 C20 O60 F8\n1.0\n5.325875 0.000000 0.000000\n0.000000 13.967986 0.000000\n0.000000 1.830629 21.130486\nBa Ce C O F\n12 8 20 60 8\ndirect\n0.999187 0.592573 0.813450 Ba\n0.999187 0.407427 0.186550 Ba\n0.988518 0.897271 0.693198 Ba\n0.495178 0.905112 0.191918 Ba\n0.988518 0.102729 0.306802 Ba\n0.479334 0.596498 0.315479 Ba\n0.495178 0.094888 0.808082 Ba\n0.518405 0.500000 0.000000 Ba\n0.009332 0.500000 0.500000 Ba\n0.481126 0.000000 0.500000 Ba\n0.479334 0.403502 0.684521 Ba\n0.997976 0.000000 0.000000 Ba\n0.991878 0.790160 0.395295 Ce\n0.494581 0.214911 0.106360 Ce\n0.997353 0.683241 0.099824 Ce\n0.504019 0.684790 0.600738 Ce\n0.494581 0.785089 0.893640 Ce\n0.997353 0.316759 0.900176 Ce\n0.991878 0.209840 0.604705 Ce\n0.504019 0.315210 0.399262 Ce\n0.498893 0.221150 0.246996 C\n0.498893 0.778850 0.753004 C\n0.002184 0.399234 0.338202 C\n0.002184 0.600766 0.661798 C\n0.997176 0.303798 0.044096 C\n0.998659 0.229782 0.745285 C\n0.002828 0.148221 0.450910 C\n0.499250 0.403622 0.839948 C\n0.501963 0.292804 0.540013 C\n0.997176 0.696202 0.955904 C\n0.998659 0.770218 0.254715 C\n0.501449 0.038901 0.651507 C\n0.497793 0.857269 0.047757 C\n0.998890 0.043602 0.149279 C\n0.501449 0.961099 0.348493 C\n0.501963 0.707196 0.459987 C\n0.998890 0.956398 0.850721 C\n0.499250 0.596378 0.160052 C\n0.002828 0.851779 0.549090 C\n0.497793 0.142731 0.952243 C\n0.703676 0.780981 0.786595 O\n0.297404 0.943223 0.380888 O\n0.713479 0.697731 0.490221 O\n0.784024 0.938268 0.878336 O\n0.703676 0.219019 0.213405 O\n0.993663 0.271924 0.103230 O\n0.285960 0.225786 0.217073 O\n0.713479 0.302269 0.509779 O\n0.500432 0.631979 0.101055 O\n0.500432 0.368021 0.898945 O\n0.006220 0.998462 0.204971 O\n0.709142 0.576482 0.188727 O\n0.786097 0.242171 0.716219 O\n0.283068 0.848540 0.077004 O\n0.501604 0.257898 0.598599 O\n0.788435 0.685011 0.987261 O\n0.285745 0.586667 0.189429 O\n0.719674 0.062714 0.626659 O\n0.004644 0.365236 0.397201 O\n0.013223 0.775632 0.193646 O\n0.208788 0.319001 0.014961 O\n0.198924 0.219705 0.710987 O\n0.285960 0.774214 0.782927 O\n0.792899 0.162908 0.420568 O\n0.705963 0.157796 0.920750 O\n0.709142 0.423518 0.811273 O\n0.501604 0.742102 0.401401 O\n0.297404 0.056777 0.619112 O\n0.198924 0.780295 0.289013 O\n0.006220 0.001538 0.795029 O\n0.788473 0.581572 0.689378 O\n0.002974 0.883449 0.489585 O\n0.788435 0.314989 0.012739 O\n0.492349 0.992811 0.707031 O\n0.208788 0.680999 0.985039 O\n0.002974 0.116551 0.510415 O\n0.293637 0.686660 0.489511 O\n0.503876 0.887393 0.988275 O\n0.786097 0.757829 0.283781 O\n0.215246 0.159733 0.421079 O\n0.293637 0.313340 0.510489 O\n0.285745 0.413333 0.810571 O\n0.213773 0.589303 0.692172 O\n0.206807 0.935101 0.881415 O\n0.788473 0.418428 0.310622 O\n0.719674 0.937286 0.373341 O\n0.510097 0.785372 0.692106 O\n0.784024 0.061732 0.121664 O\n0.215246 0.840267 0.578921 O\n0.206807 0.064899 0.118585 O\n0.004644 0.634764 0.602799 O\n0.705963 0.842204 0.079250 O\n0.993663 0.728076 0.896770 O\n0.510097 0.214628 0.307894 O\n0.792899 0.837092 0.579432 O\n0.013223 0.224368 0.806354 O\n0.492349 0.007189 0.292969 O\n0.283068 0.151460 0.922996 O\n0.213773 0.410697 0.307828 O\n0.503876 0.112607 0.011725 O\n0.486821 0.386598 0.128484 F\n0.493503 0.484124 0.426333 F\n0.007477 0.380801 0.620628 F\n0.493503 0.515876 0.573667 F\n0.990352 0.520732 0.074382 F\n0.486821 0.613402 0.871516 F\n0.007477 0.619199 0.379372 F\n0.990352 0.479268 0.925618 F\n",
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{
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{
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"structure_string": "V2 Cu3 O11\n1.0\n2.808476 5.414520 0.000000\n-2.808476 5.414520 0.000000\n0.000000 0.942623 7.293551\nV Cu O\n2 3 11\ndirect\n0.506422 0.506422 0.256432 V\n0.493578 0.493578 0.743568 V\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.674687 0.191141 0.184665 O\n0.325313 0.808859 0.815335 O\n0.808859 0.325313 0.815335 O\n0.191141 0.674687 0.184665 O\n0.667692 0.667692 0.142553 O\n0.332308 0.332308 0.857447 O\n0.823135 0.823135 0.529017 O\n0.176865 0.176865 0.470983 O\n0.500000 0.500000 0.500000 O\n0.153527 0.153527 0.102159 O\n0.846473 0.846473 0.897841 O\n",
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{
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