GaSiH2
Alexandria ALEXAlex-ID: agm002071978 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_5169_spg8
SiH4 Ga Si
2021-11-09 01:22:11.309922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002071978).
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 agm002071978
data_agm002071978
_cell_length_a 4.45143
_cell_length_b 4.55454
_cell_length_c 6.92200
_cell_angle_alpha 71.43354
_cell_angle_beta 88.75806
_cell_angle_gamma 86.26080
_cell_volume 132.75096
_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
Ga1 Ga 0.20195 0.23972 0.77832 1.00000
Ga2 Ga 0.20221 0.81136 0.63026 1.00000
Si1 Si 0.79423 0.07373 0.38710 1.00000
Si2 Si 0.79551 0.26022 0.02436 1.00000
H1 H 0.67087 0.58998 0.98299 1.00000
H2 H 0.52039 0.10304 0.97297 1.00000
H3 H 0.51954 0.86554 0.43320 1.00000
H4 H 0.66757 0.35659 0.43621 1.00000
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