GaSbI
Alexandria ALEXAlex-ID: agm005690964 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10840_spg14
GaI3 GaSb Sb
2023-06-17 11:44:51.456318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690964).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005690964
data_agm005690964
_cell_length_a 4.15126
_cell_length_b 9.54069
_cell_length_c 18.44665
_cell_angle_alpha 89.99997
_cell_angle_beta 89.99996
_cell_angle_gamma 42.52740
_cell_volume 493.84103
_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 0.39743 0.90530 0.97218 1.00000
Ga2 Ga 0.60257 0.59470 0.47218 1.00000
Ga3 Ga 0.39743 0.40530 0.52782 1.00000
Ga4 Ga 0.60257 0.09470 0.02782 1.00000
Sb1 Sb 0.15697 0.55637 0.05129 1.00000
Sb2 Sb 0.84303 0.94363 0.55129 1.00000
Sb3 Sb 0.15697 0.05637 0.44871 1.00000
Sb4 Sb 0.84303 0.44363 0.94871 1.00000
I1 I 0.59477 0.58126 0.33343 1.00000
I2 I 0.40523 0.91874 0.83343 1.00000
I3 I 0.59477 0.08126 0.16657 1.00000
I4 I 0.40523 0.41874 0.66657 1.00000
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