MnAl2GaH8
Alexandria ALEXAlex-ID: agm007603813 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
AlH9 MnGa4 MnAl2H7 Ga
2024-02-09 13:18:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007603813).
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
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# CIF generated by HEAS from Alexandria entry agm007603813
data_agm007603813
_cell_length_a 4.21328
_cell_length_b 4.22614
_cell_length_c 6.76562
_cell_angle_alpha 90.15074
_cell_angle_beta 108.37325
_cell_angle_gamma 120.04872
_cell_volume 97.05518
_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
Mn1 Mn 0.99981 0.02841 0.99991 1.00000
Al1 Al 0.58466 0.32501 0.87669 1.00000
Al2 Al 0.41582 0.74147 0.12340 1.00000
Ga1 Ga 0.99859 0.68832 0.49995 1.00000
H1 H 0.03699 0.29004 0.82900 1.00000
H2 H 0.55710 0.80587 0.83359 1.00000
H3 H 0.96588 0.76740 0.17348 1.00000
H4 H 0.03921 0.80285 0.82766 1.00000
H5 H 0.95953 0.25166 0.17061 1.00000
H6 H 0.61135 0.82897 0.39311 1.00000
H7 H 0.38794 0.21577 0.60706 1.00000
H8 H 0.44313 0.25422 0.16554 1.00000
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