Hf2V5H2
Alexandria ALEXAlex-ID: agm007209640 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_343_spg12
V HfH
2025-05-27 15:38:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007209640).
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 agm007209640
data_agm007209640
_cell_length_a 5.33079
_cell_length_b 5.33079
_cell_length_c 7.32783
_cell_angle_alpha 80.14235
_cell_angle_beta 99.85765
_cell_angle_gamma 145.40043
_cell_volume 116.32844
_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
Hf1 Hf 0.56806 0.43194 0.20966 1.00000
Hf2 Hf 0.43194 0.56806 0.79034 1.00000
V1 V 0.71200 0.28800 0.62845 1.00000
V2 V 0.28800 0.71200 0.37155 1.00000
V3 V 0.83080 0.16920 0.07340 1.00000
V4 V 0.16920 0.83080 0.92660 1.00000
V5 V 0.00000 0.00000 0.50000 1.00000
H1 H 0.85706 0.14294 0.32100 1.00000
H2 H 0.14294 0.85706 0.67900 1.00000
Get direct link