Li5Co2H5
Alexandria ALEXAlex-ID: agm006368142 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_24_spg12
Co LiH
2024-02-24 13:59:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006368142).
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 agm006368142
data_agm006368142
_cell_length_a 4.85962
_cell_length_b 4.85962
_cell_length_c 7.65240
_cell_angle_alpha 89.76219
_cell_angle_beta 89.76219
_cell_angle_gamma 33.21769
_cell_volume 99.00064
_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
Li1 Li 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.63533 0.63533 0.54132 1.00000
Li3 Li 0.76924 0.76924 0.17643 1.00000
Li4 Li 0.23076 0.23076 0.82357 1.00000
Li5 Li 0.36467 0.36467 0.45868 1.00000
Co1 Co 0.95085 0.95085 0.71667 1.00000
Co2 Co 0.04915 0.04915 0.28333 1.00000
H1 H 0.13700 0.13700 0.10154 1.00000
H2 H 0.54794 0.54794 0.75910 1.00000
H3 H 0.45206 0.45206 0.24090 1.00000
H4 H 0.86300 0.86300 0.89846 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
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