MgAl2VH8
Alexandria ALEXAlex-ID: agm007621652 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_318_spg2
AlH3 MgH2 VH2 Al3V
2024-03-05 22:20:26.062838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007621652).
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 agm007621652
data_agm007621652
_cell_length_a 4.64996
_cell_length_b 5.56739
_cell_length_c 4.53759
_cell_angle_alpha 89.91252
_cell_angle_beta 112.07109
_cell_angle_gamma 90.00067
_cell_volume 108.86119
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.49978 0.26940 0.99955 1.00000
Al2 Al 0.50022 0.73060 0.00045 1.00000
V1 V 0.00000 0.50000 0.00000 1.00000
H1 H 0.30570 0.00024 0.76934 1.00000
H2 H 0.78565 0.49940 0.25627 1.00000
H3 H 0.69430 0.99976 0.23066 1.00000
H4 H 0.73708 0.26838 0.75807 1.00000
H5 H 0.26292 0.73162 0.24193 1.00000
H6 H 0.26298 0.26777 0.24165 1.00000
H7 H 0.73702 0.73223 0.75835 1.00000
H8 H 0.21435 0.50060 0.74373 1.00000
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