Al5V5H2
Alexandria ALEXAlex-ID: agm003374086 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_42_spg12
Al(VH)3 Al3V AlV
2022-02-08 17:38:36.942041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374086).
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 agm003374086
data_agm003374086
_cell_length_a 3.43158
_cell_length_b 4.89771
_cell_length_c 9.43150
_cell_angle_alpha 86.99504
_cell_angle_beta 90.00000
_cell_angle_gamma 110.50716
_cell_volume 148.23603
_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
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.69445 0.38890 0.10568 1.00000
Al3 Al 0.79686 0.59372 0.39497 1.00000
Al4 Al 0.20314 0.40628 0.60503 1.00000
Al5 Al 0.30555 0.61110 0.89432 1.00000
V1 V 0.09512 0.19024 0.31237 1.00000
V2 V 0.59689 0.19378 0.81010 1.00000
V3 V 0.40311 0.80622 0.18990 1.00000
V4 V 0.90488 0.80976 0.68763 1.00000
V5 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.04220 0.08439 0.81129 1.00000
H2 H 0.95780 0.91561 0.18871 1.00000
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