Li2Ga2H5
Alexandria ALEXAlex-ID: agm007369079 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_499_spg12
LiGaH4 Ga LiH
2024-02-09 07:20:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369079).
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 agm007369079
data_agm007369079
_cell_length_a 3.39065
_cell_length_b 4.66497
_cell_length_c 6.07970
_cell_angle_alpha 102.76111
_cell_angle_beta 91.47136
_cell_angle_gamma 90.52258
_cell_volume 93.74711
_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
Li1 Li 0.75505 0.16489 0.69504 1.00000
Li2 Li 0.24495 0.83511 0.30496 1.00000
Ga1 Ga 0.77819 0.31727 0.19087 1.00000
Ga2 Ga 0.22181 0.68273 0.80913 1.00000
H1 H 0.25630 0.94786 0.64277 1.00000
H2 H 0.74370 0.05214 0.35723 1.00000
H3 H 0.76162 0.56459 0.68043 1.00000
H4 H 0.23838 0.43541 0.31957 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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