Cr5(CoH2)2
Alexandria ALEXAlex-ID: agm005669930 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_627_spg12
Cr Co CrH
2023-06-21 15:09:18.094238
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669930).
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 agm005669930
data_agm005669930
_cell_length_a 2.51828
_cell_length_b 5.08140
_cell_length_c 7.37561
_cell_angle_alpha 99.94021
_cell_angle_beta 99.82948
_cell_angle_gamma 89.99999
_cell_volume 91.55743
_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 0.17489 0.86474 0.34978 1.00000
Cr2 Cr 0.82511 0.13526 0.65022 1.00000
Cr3 Cr 0.17576 0.29523 0.35151 1.00000
Cr4 Cr 0.50000 0.00000 0.00000 1.00000
Cr5 Cr 0.82424 0.70477 0.64849 1.00000
Co1 Co 0.57545 0.53587 0.15090 1.00000
Co2 Co 0.42455 0.46413 0.84910 1.00000
H1 H 0.69561 0.59202 0.39123 1.00000
H2 H 0.95667 0.73355 0.91334 1.00000
H3 H 0.30439 0.40798 0.60877 1.00000
H4 H 0.04333 0.26645 0.08666 1.00000
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