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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
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"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.404054342592593,
"spacegroup": 33
},
{
"id": "jvasp-112015",
"created_at": "2022-09-04T14:38:42.907826Z",
"updated_at": "2022-09-04T14:38:42.907857Z",
"structure_string": "H12 C19 O1\n1.0\n3.734006 -0.025327 -0.001469\n-1.229536 5.736295 -0.000981\n0.003862 0.001278 13.726306\nH C O\n12 19 1\ndirect\n0.346651 0.129294 0.282337 H\n0.838397 0.224288 0.378998 H\n0.142662 0.046549 0.113121 H\n0.446424 0.862176 0.557345 H\n0.508810 0.775566 0.894415 H\n0.698151 0.858211 0.210836 H\n0.346805 0.129287 0.653969 H\n0.698013 0.858233 0.725557 H\n0.508966 0.775538 0.041951 H\n0.838420 0.224291 0.557335 H\n0.142836 0.046541 0.823164 H\n0.446418 0.862182 0.379043 H\n0.539451 0.500719 0.676289 C\n0.746290 0.363047 0.417764 C\n0.385915 0.271249 0.706751 C\n0.266680 0.223913 0.135156 C\n0.746302 0.363049 0.518581 C\n0.266784 0.223912 0.801152 C\n0.385814 0.271250 0.229569 C\n0.626175 0.537706 0.364631 C\n0.303359 0.402132 0.065000 C\n0.469255 0.630693 0.093219 C\n0.303371 0.402140 0.871323 C\n0.539429 0.500714 0.260061 C\n0.546729 0.725863 0.417342 C\n0.578038 0.678695 0.746358 C\n0.146258 0.317516 0.968151 C\n0.546735 0.725862 0.519035 C\n0.469178 0.630710 0.843136 C\n0.578106 0.678682 0.190009 C\n0.626189 0.537709 0.571728 C\n0.882569 0.146320 0.968129 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
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"O"
],
"chemical_system": "C-H-O",
"density": 1.4496591915989483,
"density_atomic": 0.10899877349143175,
"volume": 293.5812851372633,
"volume_molar": 5.524961948744674,
"formula_full": "H12 C19 O1",
"formula_reduced": "H12C19O",
"formula_anonymous": "AB12C19",
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"spacegroup": 6
}
]
}