VCoO4
Alexandria ALEXAlex-ID: agm005239756 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4_spg62
V2O5 CoO8 Co3O4
2023-05-10 02:04:16.681099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239756).
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 agm005239756
data_agm005239756
_cell_length_a 4.88113
_cell_length_b 5.94635
_cell_length_c 10.49158
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.51739
_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
V1 V 0.41642 0.25000 0.59425 1.00000
V2 V 0.08358 0.25000 0.09425 1.00000
V3 V 0.91642 0.75000 0.90575 1.00000
V4 V 0.58358 0.75000 0.40575 1.00000
Co1 Co 0.94259 0.25000 0.77974 1.00000
Co2 Co 0.55741 0.25000 0.27974 1.00000
Co3 Co 0.44259 0.75000 0.72026 1.00000
Co4 Co 0.05741 0.75000 0.22026 1.00000
O1 O 0.25948 0.02291 0.67632 1.00000
O2 O 0.24052 0.02291 0.17632 1.00000
O3 O 0.14292 0.25000 0.93062 1.00000
O4 O 0.76083 0.25000 0.62133 1.00000
O5 O 0.73917 0.25000 0.12133 1.00000
O6 O 0.35708 0.25000 0.43062 1.00000
O7 O 0.25948 0.47709 0.67632 1.00000
O8 O 0.24052 0.47709 0.17632 1.00000
O9 O 0.74052 0.52291 0.32368 1.00000
O10 O 0.75948 0.52291 0.82368 1.00000
O11 O 0.85708 0.75000 0.06938 1.00000
O12 O 0.64292 0.75000 0.56938 1.00000
O13 O 0.26083 0.75000 0.87867 1.00000
O14 O 0.23917 0.75000 0.37867 1.00000
O15 O 0.75948 0.97709 0.82368 1.00000
O16 O 0.74052 0.97709 0.32368 1.00000
