Al2V6H
Alexandria ALEXAlex-ID: agm005778887 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_729_spg225
Al(VH)3 AlV3
2023-07-07 09:44:09.189288
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778887).
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 agm005778887
data_agm005778887
_cell_length_a 5.18972
_cell_length_b 5.18999
_cell_length_c 8.39223
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00090
_cell_angle_gamma 90.00000
_cell_volume 226.04135
_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 0.99988 0.50009 0.75002 1.00000
Al2 Al 0.50012 0.00009 0.74998 1.00000
Al3 Al 0.49988 0.99991 0.25002 1.00000
Al4 Al 0.00012 0.49991 0.24998 1.00000
V1 V 0.99988 0.99993 0.24899 1.00000
V2 V 0.74794 0.74787 0.49997 1.00000
V3 V 0.76194 0.76192 0.00002 1.00000
V4 V 0.73806 0.26192 0.49998 1.00000
V5 V 0.75206 0.24787 0.00003 1.00000
V6 V 0.50012 0.49993 0.25101 1.00000
V7 V 0.00012 0.00007 0.75101 1.00000
V8 V 0.25206 0.25213 0.50003 1.00000
V9 V 0.23806 0.23808 0.99998 1.00000
V10 V 0.26194 0.73808 0.50002 1.00000
V11 V 0.24794 0.75213 0.99997 1.00000
V12 V 0.49988 0.50007 0.74899 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
H2 H 0.00000 0.00000 0.50000 1.00000
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