CrCoH6
Alexandria ALEXAlex-ID: agm076117331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_13_spg8
CoH H2 CrH
2025-06-25 18:59:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076117331).
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
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# CIF generated by HEAS from Alexandria entry agm076117331
data_agm076117331
_cell_length_a 2.87016
_cell_length_b 4.66583
_cell_length_c 4.40062
_cell_angle_alpha 58.91552
_cell_angle_beta 85.47506
_cell_angle_gamma 73.95901
_cell_volume 48.35861
_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
Cr1 Cr 0.66614 0.72201 0.66825 1.00000
Co1 Co 0.96820 0.01047 0.99083 1.00000
H1 H 0.72011 0.31703 0.06356 1.00000
H2 H 0.16805 0.66176 0.95575 1.00000
H3 H 0.11148 0.92192 0.39946 1.00000
H4 H 0.86542 0.36874 0.59588 1.00000
H5 H 0.77773 0.66688 0.30609 1.00000
H6 H 0.47286 0.08120 0.77018 1.00000
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