Ga4Br5Cl2
Alexandria ALEXAlex-ID: agm005683526 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_734_spg2
GaBr GaBr2 GaCl2
2023-06-21 17:01:09.431470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683526).
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 agm005683526
data_agm005683526
_cell_length_a 8.07593
_cell_length_b 6.79087
_cell_length_c 12.55580
_cell_angle_alpha 80.86345
_cell_angle_beta 72.90242
_cell_angle_gamma 39.64054
_cell_volume 417.29702
_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 0.55944 0.72744 0.33193 1.00000
Ga2 Ga 0.44056 0.27256 0.66807 1.00000
Ga3 Ga 0.75594 0.77715 0.76064 1.00000
Ga4 Ga 0.24406 0.22285 0.23936 1.00000
Br1 Br 0.05574 0.72400 0.82512 1.00000
Br2 Br 0.94426 0.27600 0.17488 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
Br4 Br 0.58157 0.65893 0.89762 1.00000
Br5 Br 0.41843 0.34107 0.10238 1.00000
Cl1 Cl 0.13146 0.32175 0.62931 1.00000
Cl2 Cl 0.86854 0.67825 0.37069 1.00000
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