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{
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{
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{
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"structure_string": "Zn1 H8 C6 O4\n1.0\n3.589873 0.089541 -0.091210\n1.465503 4.300707 0.081731\n0.313855 0.098992 9.794848\nZn H C O\n1 8 6 4\ndirect\n0.007379 0.776940 0.202439 Zn\n0.814945 0.547226 0.547970 H\n0.318347 0.629683 0.509670 H\n0.874401 0.014198 0.648525 H\n0.644204 0.476864 0.802485 H\n0.708602 0.925035 0.895583 H\n0.212487 0.006543 0.856861 H\n0.382337 0.077644 0.602745 H\n0.152139 0.540235 0.756661 H\n0.310029 0.250850 0.023631 C\n0.425772 0.120428 0.883297 C\n0.444457 0.355767 0.770516 C\n0.714831 0.303183 0.381423 C\n0.600874 0.433891 0.521810 C\n0.582136 0.198737 0.634673 C\n0.137099 0.546426 0.030889 O\n0.637656 0.495654 0.277747 O\n0.886563 0.007482 0.374143 O\n0.386071 0.058230 0.127252 O\n",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:37:11.896775Z",
"updated_at": "2022-09-04T14:37:11.896796Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.404517 -0.019162 -0.533651\n-2.055420 4.372238 0.478473\n-0.125195 0.093724 7.428652\nZn H C O\n1 6 5 4\ndirect\n0.033732 0.742275 0.268011 Zn\n0.241986 0.390210 0.647170 H\n0.017490 0.010250 0.573317 H\n0.520138 0.907111 0.750352 H\n0.881971 0.478928 0.808146 H\n0.218463 0.921081 0.876503 H\n0.586437 0.457746 0.948895 H\n0.495269 0.269303 0.466970 C\n0.266996 0.185136 0.617446 C\n0.419515 0.060078 0.789570 C\n0.692607 0.318668 0.897490 C\n0.882586 0.218803 0.056482 C\n0.732832 0.541074 0.462669 O\n0.463780 0.069159 0.359625 O\n0.835205 0.938679 0.070284 O\n0.092399 0.415431 0.165573 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.280157854796819,
"density_atomic": 0.11237555351088505,
"volume": 142.37972139065096,
"volume_molar": 5.358942022400519,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.1444359,
"spacegroup": 1
}
]
}