K3CoO2
Alexandria ALEXAlex-ID: agm005673010 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_87_spg14
K3CoO2
2023-08-29 18:36:17.642410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673010).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005673010
data_agm005673010
_cell_length_a 6.47388
_cell_length_b 9.52670
_cell_length_c 9.10152
_cell_angle_alpha 90.00000
_cell_angle_beta 109.80030
_cell_angle_gamma 90.00000
_cell_volume 528.14728
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.25874 0.96465 0.00341 1.00000
K2 K 0.24126 0.46465 0.49659 1.00000
K3 K 0.74126 0.03535 0.99659 1.00000
K4 K 0.75874 0.53535 0.50341 1.00000
K5 K 0.36597 0.53117 0.12647 1.00000
K6 K 0.13403 0.03117 0.37353 1.00000
K7 K 0.63403 0.46883 0.87353 1.00000
K8 K 0.86597 0.96883 0.62647 1.00000
K9 K 0.93013 0.70900 0.18752 1.00000
K10 K 0.56987 0.20900 0.31248 1.00000
K11 K 0.06987 0.29100 0.81248 1.00000
K12 K 0.43013 0.79100 0.68752 1.00000
Co1 Co 0.53504 0.82190 0.32749 1.00000
Co2 Co 0.96496 0.32190 0.17251 1.00000
Co3 Co 0.46496 0.17810 0.67251 1.00000
Co4 Co 0.03504 0.67810 0.82749 1.00000
O1 O 0.70769 0.94250 0.27442 1.00000
O2 O 0.79231 0.44250 0.22558 1.00000
O3 O 0.29231 0.05750 0.72558 1.00000
O4 O 0.20769 0.55750 0.77442 1.00000
O5 O 0.37254 0.69563 0.38267 1.00000
O6 O 0.12746 0.19563 0.11733 1.00000
O7 O 0.62746 0.30437 0.61733 1.00000
O8 O 0.87254 0.80437 0.88267 1.00000
