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{
"id": "jvasp-103898",
"created_at": "2022-09-04T14:37:02.015206Z",
"updated_at": "2022-09-04T14:37:02.015223Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.5281619973872167,
"density_atomic": 0.11211561935630324,
"volume": 285.41964254154504,
"volume_molar": 5.371366447043965,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
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"created_at": "2022-09-04T14:38:26.812127Z",
"updated_at": "2022-09-04T14:38:26.812148Z",
"structure_string": "Li3 C1\n1.0\n-1.847620 1.847620 2.613135\n1.847620 -1.847620 2.613135\n1.847620 1.847620 -2.613135\nLi C\n3 1\ndirect\n0.749999 0.250000 0.499999 Li\n0.250000 0.749999 0.499999 Li\n0.500002 0.500002 0.000000 Li\n0.000000 0.000000 0.000000 C\n",
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"elements": [
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"chemical_system": "C-Li",
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{
"id": "jvasp-78537",
"created_at": "2022-09-04T14:36:32.753704Z",
"updated_at": "2022-09-04T14:36:32.753725Z",
"structure_string": "K2 C2\n1.0\n0.000000 4.283324 0.000000\n3.053598 -2.141662 -2.106146\n-6.008242 0.000000 -4.353532\nK C\n2 2\ndirect\n0.249985 0.499970 0.749987 K\n0.750015 0.500031 0.250013 K\n0.000000 0.000000 0.000000 C\n0.500000 -0.000000 0.500000 C\n",
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"elements": [
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],
"chemical_system": "C-K",
"density": 1.5271749475101792,
"density_atomic": 0.03598920934563443,
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"formula_full": "K2 C2",
"formula_reduced": "KC",
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]
}