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"updated_at": "2022-09-04T14:37:06.965536Z",
"structure_string": "K4 H4 C4 O12\n1.0\n0.000000 3.660739 0.077323\n5.632560 0.000000 0.000000\n0.000000 -3.711353 -14.593697\nK H C O\n4 4 4 12\ndirect\n0.965145 0.531587 0.334699 K\n0.034856 0.031587 0.165301 K\n0.034857 0.468413 0.665301 K\n0.965145 0.968413 0.834699 K\n0.517647 0.194619 0.487309 H\n0.482354 0.694619 0.012692 H\n0.482355 0.805381 0.512692 H\n0.517648 0.305381 0.987309 H\n0.376086 0.976648 0.618128 C\n0.623916 0.476648 0.881873 C\n0.623916 0.023352 0.381873 C\n0.376085 0.523352 0.118127 C\n0.421240 0.771267 0.574725 O\n0.717787 0.043020 0.307475 O\n0.282214 0.543020 0.192526 O\n0.282215 0.956979 0.692526 O\n0.717787 0.456979 0.807475 O\n0.568655 0.826574 0.418752 O\n0.431346 0.326574 0.081248 O\n0.431347 0.173426 0.581248 O\n0.568656 0.673426 0.918752 O\n0.578762 0.228733 0.425275 O\n0.421239 0.728733 0.074725 O\n0.578762 0.271267 0.925275 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.221816009020604,
"density_atomic": 0.0801882038247205,
"volume": 299.29589210478434,
"volume_molar": 7.510008296436601,
"formula_full": "K4 H4 C4 O12",
"formula_reduced": "KHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.489353083333333,
"spacegroup": 14
}
]
}