CoHO2
Alexandria ALEXAlex-ID: agm005236983 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_579_spg14
CoHO2
2023-05-07 03:40:25.979664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236983).
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 agm005236983
data_agm005236983
_cell_length_a 4.88698
_cell_length_b 5.05436
_cell_length_c 5.93670
_cell_angle_alpha 87.56284
_cell_angle_beta 85.55356
_cell_angle_gamma 67.87961
_cell_volume 135.42319
_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 0.50119 0.25616 0.12745 1.00000
Co2 Co 0.50442 0.75490 0.37751 1.00000
Co3 Co 0.49558 0.24510 0.62249 1.00000
Co4 Co 0.49881 0.74384 0.87255 1.00000
H1 H 0.95406 0.77856 0.13769 1.00000
H2 H 0.04730 0.72245 0.60684 1.00000
H3 H 0.95270 0.27755 0.39316 1.00000
H4 H 0.04594 0.22144 0.86231 1.00000
O1 O 0.30018 0.66399 0.14151 1.00000
O2 O 0.27247 0.65226 0.61655 1.00000
O3 O 0.29610 0.16255 0.38551 1.00000
O4 O 0.27024 0.15449 0.87405 1.00000
O5 O 0.72976 0.84551 0.12595 1.00000
O6 O 0.70390 0.83745 0.61449 1.00000
O7 O 0.72753 0.34774 0.38345 1.00000
O8 O 0.69982 0.33601 0.85849 1.00000
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