GaHI
Alexandria ALEXAlex-ID: agm005602734 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3856_spg25
H9I Ga2I3 Ga
2023-06-19 10:21:36.196692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602734).
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 agm005602734
data_agm005602734
_cell_length_a 6.26155
_cell_length_b 4.13902
_cell_length_c 12.05140
_cell_angle_alpha 91.37686
_cell_angle_beta 89.06476
_cell_angle_gamma 131.31849
_cell_volume 234.50992
_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 0.87020 0.11624 0.97971 1.00000
Ga2 Ga 0.37030 0.61175 0.90707 1.00000
H1 H 0.37232 0.09235 0.34085 1.00000
H2 H 0.87299 0.60401 0.54782 1.00000
I1 I 0.37520 0.10548 0.75135 1.00000
I2 I 0.87467 0.63180 0.13525 1.00000
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