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{
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{
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{
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"structure_string": "Ti16 N16 O8\n1.0\n8.215639 0.000000 0.000000\n-2.718101 7.756751 0.000000\n-2.737942 -3.882808 6.717709\nTi N O\n16 16 8\ndirect\n0.700205 0.162165 0.042433 Ti\n0.989678 0.989003 0.000405 Ti\n0.489036 0.994486 0.498696 Ti\n0.514021 0.508092 0.988400 Ti\n0.055303 0.805601 0.242909 Ti\n0.451062 0.701018 0.751262 Ti\n0.322724 0.023084 0.714199 Ti\n0.349685 0.563718 0.204006 Ti\n0.192786 0.157192 0.549573 Ti\n0.784411 0.827874 0.462798 Ti\n0.673046 0.468067 0.785481 Ti\n0.672619 0.955417 0.297121 Ti\n0.991880 0.480788 0.512121 Ti\n0.544988 0.295809 0.249935 Ti\n0.965185 0.214427 0.745683 Ti\n0.293907 0.834106 0.951532 Ti\n0.214875 0.675648 0.274581 N\n0.997303 0.035683 0.227469 N\n0.491964 0.502243 0.273198 N\n0.178743 0.688887 0.773893 N\n0.511114 0.501508 0.723938 N\n0.248966 0.475230 0.487800 N\n0.559638 0.285563 0.990360 N\n0.826218 0.316599 0.224919 N\n0.034839 0.809568 0.958532 N\n0.997884 0.955447 0.775871 N\n0.409938 0.675401 0.551925 N\n0.689071 0.743827 0.767570 N\n0.543668 0.991790 0.733844 N\n0.827123 0.061620 0.950391 N\n0.185817 0.911208 0.540185 N\n0.778915 0.319401 0.727359 N\n0.816494 0.087720 0.459691 O\n0.169084 0.937834 0.054545 O\n0.462673 0.015056 0.262920 O\n0.297650 0.250916 0.239345 O\n0.596560 0.328825 0.448565 O\n0.968845 0.197498 0.039676 O\n0.760841 0.536372 0.505139 O\n0.441244 0.715308 0.011731 O\n",
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{
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{
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"structure_string": "Zr16 N16 O8\n1.0\n8.879274 0.000000 0.000000\n-2.941631 8.373936 0.000000\n-2.956254 -4.196222 7.247132\nZr N O\n16 16 8\ndirect\n0.710850 0.179045 0.033180 Zr\n0.996037 0.996725 0.996655 Zr\n0.046967 0.797168 0.244345 Zr\n0.485959 0.988970 0.502500 Zr\n0.512201 0.506697 0.989794 Zr\n0.461067 0.710716 0.750455 Zr\n0.309651 0.019529 0.721256 Zr\n0.335952 0.554075 0.210795 Zr\n0.776972 0.814823 0.468437 Zr\n0.202141 0.172127 0.541382 Zr\n0.682489 0.961688 0.290407 Zr\n0.688758 0.474985 0.778997 Zr\n0.993635 0.481477 0.509472 Zr\n0.971362 0.221207 0.745606 Zr\n0.541088 0.291114 0.250017 Zr\n0.288317 0.823709 0.958657 Zr\n0.209513 0.676463 0.276045 N\n0.998802 0.030924 0.228721 N\n0.490329 0.501745 0.270930 N\n0.185899 0.696392 0.771275 N\n0.510117 0.499190 0.727262 N\n0.256258 0.486248 0.484176 N\n0.554899 0.283068 0.989057 N\n0.819055 0.307302 0.227719 N\n0.998017 0.962807 0.773867 N\n0.028689 0.801192 0.964424 N\n0.420743 0.682101 0.547466 N\n0.699629 0.749733 0.763720 N\n0.539034 0.992603 0.736259 N\n0.818765 0.057788 0.955221 N\n0.195876 0.922968 0.533997 N\n0.776528 0.310304 0.731230 N\n0.810958 0.079760 0.463916 O\n0.171436 0.935755 0.051940 O\n0.468139 0.018305 0.257949 O\n0.587550 0.324049 0.451672 O\n0.289007 0.244951 0.242320 O\n0.976548 0.206415 0.034494 O\n0.751968 0.526291 0.508487 O\n0.438795 0.709589 0.015897 O\n",
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{
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{
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{
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{
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{
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],
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"density": 7.5322297727917675,
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"formula_full": "Ba1 Pa1 O3",
"formula_reduced": "BaPaO3",
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"updated_at": "2021-11-28T01:34:48.805000Z",
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{
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]
}