Ga(S3Cl)2
Alexandria ALEXAlex-ID: agm005669110 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3211_spg2
S8Cl GaS11 GaCl3
2023-07-09 16:50:31.382790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669110).
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 agm005669110
data_agm005669110
_cell_length_a 3.78644
_cell_length_b 9.27730
_cell_length_c 8.37558
_cell_angle_alpha 124.40571
_cell_angle_beta 85.81980
_cell_angle_gamma 91.71543
_cell_volume 242.07745
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.92833 0.57606 0.26047 1.00000
S2 S 0.07167 0.42394 0.73953 1.00000
S3 S 0.95226 0.72067 0.70277 1.00000
S4 S 0.81693 0.26163 0.51415 1.00000
S5 S 0.18307 0.73837 0.48585 1.00000
S6 S 0.04774 0.27933 0.29723 1.00000
Cl1 Cl 0.49663 0.89296 0.10840 1.00000
Cl2 Cl 0.50337 0.10704 0.89160 1.00000
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