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"structure_string": "K4 Cu2 H16 C8 O24\n1.0\n3.667666 -0.017701 0.000000\n-0.630192 10.741530 0.000000\n0.000000 0.000000 14.587395\nK Cu H C O\n4 2 16 8 24\ndirect\n0.238013 0.490692 0.637457 K\n0.761988 0.509308 0.362544 K\n0.738014 0.990693 0.862544 K\n0.261988 0.009308 0.137457 K\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.154628 0.839418 0.711454 H\n0.345373 0.660582 0.211454 H\n0.714462 0.742138 0.627513 H\n0.392338 0.525084 0.180776 H\n0.785540 0.757862 0.127513 H\n0.654629 0.339418 0.788546 H\n0.727729 0.702386 0.732507 H\n0.285539 0.257862 0.372487 H\n0.892339 0.025084 0.319224 H\n0.607663 0.474916 0.819224 H\n0.772274 0.797614 0.232507 H\n0.227728 0.202386 0.767494 H\n0.272273 0.297614 0.267494 H\n0.107663 0.974916 0.680776 H\n0.214462 0.242138 0.872487 H\n0.845373 0.160582 0.288546 H\n0.313584 0.750802 0.475764 C\n0.610891 0.321726 0.099035 C\n0.186417 0.749198 0.975764 C\n0.889111 0.178274 0.599035 C\n0.686417 0.249198 0.524236 C\n0.813584 0.250802 0.024236 C\n0.110891 0.821726 0.400965 C\n0.389110 0.678274 0.900965 C\n0.282424 0.635422 0.479453 O\n0.991036 0.677729 0.031218 O\n0.916540 0.763312 0.343761 O\n0.154370 0.942117 0.405361 O\n0.008965 0.322271 0.968782 O\n0.774300 0.073774 0.271726 O\n0.083462 0.236688 0.656239 O\n0.345632 0.557883 0.905361 O\n0.225701 0.926226 0.728274 O\n0.346957 0.192750 0.827741 O\n0.725702 0.426226 0.771726 O\n0.508966 0.822271 0.531218 O\n0.153044 0.307250 0.327741 O\n0.653045 0.807250 0.172259 O\n0.717577 0.364578 0.520547 O\n0.274300 0.573774 0.228274 O\n0.846957 0.692750 0.672259 O\n0.782424 0.135422 0.020547 O\n0.654370 0.442117 0.094639 O\n0.416539 0.263312 0.156239 O\n0.583462 0.736688 0.843761 O\n0.491035 0.177729 0.468782 O\n0.217577 0.864578 0.979453 O\n0.845632 0.057883 0.594640 O\n",
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"elements": [
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],
"chemical_system": "C-Cu-H-K-O",
"density": 2.25349566508218,
"density_atomic": 0.0939903093877027,
"volume": 574.5273140580292,
"volume_molar": 6.407193251337368,
"formula_full": "K4 Cu2 H16 C8 O24",
"formula_reduced": "K2CuH8(CO3)4",
"formula_anonymous": "AB2C4D8E12",
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"spacegroup": 14
},
{
"id": "jvasp-26755",
"created_at": "2022-09-04T14:38:29.083151Z",
"updated_at": "2022-09-04T14:38:29.083188Z",
"structure_string": "K2 Cu2 C2 O6 F2\n1.0\n4.014058 0.000000 0.000000\n0.000000 5.095228 0.000000\n0.000000 0.000000 8.998435\nK Cu C O F\n2 2 2 6 2\ndirect\n0.500000 0.708859 0.077338 K\n0.500000 0.291142 0.577339 K\n0.000000 0.789611 0.732739 Cu\n0.000000 0.210389 0.232738 Cu\n0.000000 0.784730 0.413662 C\n0.000000 0.215270 0.913663 C\n0.000000 0.328407 0.787713 O\n0.000000 0.040627 0.425069 O\n0.000000 0.645891 0.534883 O\n0.000000 0.671594 0.287713 O\n0.000000 0.354109 0.034883 O\n0.000000 0.959374 0.925069 O\n0.500000 0.806629 0.728599 F\n0.500000 0.193372 0.228599 F\n",
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"elements": [
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],
"chemical_system": "C-Cu-F-K-O",
"density": 3.2779632366050984,
"density_atomic": 0.0760700647459744,
"volume": 184.0408582107967,
"volume_molar": 7.916571098118712,
"formula_full": "K2 Cu2 C2 O6 F2",
"formula_reduced": "KCuCO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.6831870332142862,
"spacegroup": 26
}
]
}