CoHO2
Alexandria ALEXAlex-ID: agm005257348 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8707_spg2
CoHO2
2023-05-07 03:49:42.093563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257348).
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 agm005257348
data_agm005257348
_cell_length_a 4.85621
_cell_length_b 5.12338
_cell_length_c 5.93812
_cell_angle_alpha 90.05961
_cell_angle_beta 108.16727
_cell_angle_gamma 99.82517
_cell_volume 138.08566
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.99075 0.50631 0.25877 1.00000
Co3 Co 0.00000 0.00000 0.50000 1.00000
Co4 Co 0.00925 0.49369 0.74123 1.00000
H1 H 0.54856 0.75850 0.60939 1.00000
H2 H 0.44514 0.75019 0.09185 1.00000
H3 H 0.55486 0.24981 0.90815 1.00000
H4 H 0.45144 0.24150 0.39061 1.00000
O1 O 0.77451 0.79168 0.67604 1.00000
O2 O 0.79311 0.81243 0.19202 1.00000
O3 O 0.78061 0.29842 0.96141 1.00000
O4 O 0.79014 0.29176 0.45866 1.00000
O5 O 0.20986 0.70824 0.54134 1.00000
O6 O 0.21939 0.70158 0.03859 1.00000
O7 O 0.20689 0.18757 0.80798 1.00000
O8 O 0.22549 0.20832 0.32396 1.00000
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