K2VCoO5
Alexandria ALEXAlex-ID: agm005151085 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_356_spg36
K5V3O10 K(CoO2)2 Co3O4 K4V2O7
2023-01-19 13:54:15.834195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151085).
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 agm005151085
data_agm005151085
_cell_length_a 3.66923
_cell_length_b 7.20363
_cell_length_c 13.59368
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.75457
_cell_volume 347.45720
_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 0.89943 0.79887 0.91896 1.00000
K2 K 0.12195 0.24391 0.70093 1.00000
K3 K 0.10057 0.20113 0.41896 1.00000
K4 K 0.87805 0.75609 0.20093 1.00000
V1 V 0.63111 0.26222 0.91374 1.00000
V2 V 0.36889 0.73778 0.41374 1.00000
Co1 Co 0.77009 0.54018 0.54356 1.00000
Co2 Co 0.22991 0.45982 0.04356 1.00000
O1 O 0.35082 0.70164 0.06305 1.00000
O2 O 0.71805 0.43610 0.82876 1.00000
O3 O 0.52578 0.05156 0.84981 1.00000
O4 O 0.30088 0.60176 0.54637 1.00000
O5 O 0.88073 0.76147 0.45879 1.00000
O6 O 0.64918 0.29836 0.56305 1.00000
O7 O 0.28195 0.56390 0.32876 1.00000
O8 O 0.47422 0.94844 0.34981 1.00000
O9 O 0.69912 0.39824 0.04637 1.00000
O10 O 0.11927 0.23853 0.95879 1.00000
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