GaH4I
Alexandria ALEXAlex-ID: agm005752406 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1361_spg12
H9I Ga2I3 Ga
2023-07-10 00:45:03.491644
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752406).
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 agm005752406
data_agm005752406
_cell_length_a 5.94602
_cell_length_b 4.76048
_cell_length_c 10.86480
_cell_angle_alpha 95.67347
_cell_angle_beta 28.03955
_cell_angle_gamma 80.65462
_cell_volume 121.66097
_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 0.86374 0.57840 0.60760 1.00000
H1 H 0.24937 0.20417 0.43697 1.00000
H2 H 0.71048 0.77310 0.56728 1.00000
H3 H 0.04160 0.54963 0.94683 1.00000
H4 H 0.13787 0.44947 0.95595 1.00000
I1 I 0.48578 0.96150 0.99316 1.00000
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