Al3GaH8
Alexandria ALEXAlex-ID: agm007614973 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_216_spg71
AlGa4 Al19Ga AlH3
2024-02-09 02:14:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007614973).
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 agm007614973
data_agm007614973
_cell_length_a 4.65773
_cell_length_b 4.65773
_cell_length_c 7.18822
_cell_angle_alpha 66.10150
_cell_angle_beta 66.10150
_cell_angle_gamma 64.18584
_cell_volume 123.29199
_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 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.47720 0.47720 0.69984 1.00000
Al3 Al 0.52280 0.52280 0.30016 1.00000
Ga1 Ga 0.00000 0.00000 0.50000 1.00000
H1 H 0.22551 0.22551 0.78301 1.00000
H2 H 0.28664 0.28664 0.37400 1.00000
H3 H 0.77449 0.77449 0.21699 1.00000
H4 H 0.68368 0.16237 0.87967 1.00000
H5 H 0.31632 0.83763 0.12033 1.00000
H6 H 0.16237 0.68368 0.87967 1.00000
H7 H 0.83763 0.31632 0.12033 1.00000
H8 H 0.71336 0.71336 0.62600 1.00000
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