MgAl2MoH8
Alexandria ALEXAlex-ID: agm007482007 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_295_spg2
Al8Mo3 AlH3 Mg2MoH8 AlH9
2024-02-08 06:52:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007482007).
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 agm007482007
data_agm007482007
_cell_length_a 4.43545
_cell_length_b 5.58303
_cell_length_c 5.48670
_cell_angle_alpha 58.35185
_cell_angle_beta 88.32159
_cell_angle_gamma 87.05701
_cell_volume 115.51001
_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 0.51467 0.45362 0.27001 1.00000
Al2 Al 0.48533 0.54638 0.72999 1.00000
Mo1 Mo 0.00000 0.50000 0.50000 1.00000
H1 H 0.77018 0.19674 0.61963 1.00000
H2 H 0.56157 0.26500 0.10009 1.00000
H3 H 0.22982 0.80326 0.38037 1.00000
H4 H 0.43843 0.73500 0.89991 1.00000
H5 H 0.78278 0.77490 0.51987 1.00000
H6 H 0.21722 0.22510 0.48013 1.00000
H7 H 0.90377 0.59045 0.14188 1.00000
H8 H 0.09623 0.40955 0.85812 1.00000
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