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{
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{
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{
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"structure_string": "Ba2 Al1 Sn3 O8\n1.0\n4.260643 0.000000 0.000000\n0.000000 4.260643 0.000000\n0.000000 0.000000 11.259800\nBa Al Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.180587 Ba\n0.500000 0.500000 0.819413 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.374161 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.625839 Sn\n0.000000 0.500000 0.372847 O\n0.500000 0.000000 0.372847 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.186496 O\n0.000000 0.500000 0.627153 O\n0.500000 0.000000 0.627153 O\n0.000000 0.000000 0.813504 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
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{
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"formula_full": "Na6 H10 C4 O16",
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{
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"created_at": "2022-09-04T14:39:37.349151Z",
"structure_string": "Li3 Ni5 O1 F11\n1.0\n5.103266 -0.025348 0.044230\n-2.520434 1.511710 4.639976\n2.626669 -7.418278 4.655127\nLi Ni O F\n3 5 1 11\ndirect\n0.019500 0.533038 0.500516 Li\n0.503676 0.265197 0.258584 Li\n0.528006 0.793253 0.767420 Li\n0.308844 0.747767 0.149085 Ni\n0.982785 0.991827 0.996697 Ni\n0.313333 0.276364 0.647710 Ni\n0.810013 0.014388 0.407154 Ni\n0.778270 0.510487 0.903497 Ni\n0.602673 0.755691 0.957168 O\n0.087547 0.842356 0.348834 F\n0.203970 0.399388 0.299165 F\n0.215757 0.916753 0.789437 F\n0.387151 0.147925 0.043448 F\n0.409583 0.657831 0.539012 F\n0.081453 0.350090 0.851830 F\n0.903855 0.589250 0.104704 F\n0.585475 0.241704 0.452232 F\n0.710410 0.003984 0.206795 F\n0.704372 0.492243 0.698947 F\n0.913090 0.094866 0.602642 F\n",
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{
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]
}