Ga2HI2
Alexandria ALEXAlex-ID: agm005942663 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2381_spg2
H9I Ga2I3 Ga
2023-07-10 08:30:38.227969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005942663).
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 agm005942663
data_agm005942663
_cell_length_a 5.12716
_cell_length_b 22.22604
_cell_length_c 19.74504
_cell_angle_alpha 169.64279
_cell_angle_beta 87.64068
_cell_angle_gamma 97.23938
_cell_volume 355.44157
_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 0.10044 0.85498 0.92033 1.00000
Ga2 Ga 0.89956 0.14502 0.07967 1.00000
Ga3 Ga 0.60289 0.80207 0.30254 1.00000
Ga4 Ga 0.39711 0.19793 0.69746 1.00000
H1 H 0.76289 0.40769 0.42208 1.00000
H2 H 0.23711 0.59231 0.57792 1.00000
I1 I 0.09630 0.29702 0.91909 1.00000
I2 I 0.90370 0.70298 0.08091 1.00000
I3 I 0.72992 0.33549 0.16927 1.00000
I4 I 0.27008 0.66451 0.83073 1.00000
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