Ga4I5Br2
Alexandria ALEXAlex-ID: agm005656218 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_793_spg12
GaI2 GaBr2 Ga2I3
2023-06-21 16:22:05.899595
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656218).
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 agm005656218
data_agm005656218
_cell_length_a 7.56956
_cell_length_b 11.91093
_cell_length_c 8.24742
_cell_angle_alpha 48.31657
_cell_angle_beta 62.68338
_cell_angle_gamma 71.47434
_cell_volume 493.31997
_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 0.20978 0.04857 0.53185 1.00000
Ga2 Ga 0.79022 0.95143 0.46815 1.00000
Ga3 Ga 0.49839 0.17870 0.82452 1.00000
Ga4 Ga 0.50161 0.82130 0.17548 1.00000
I1 I 0.92865 0.81390 0.83164 1.00000
I2 I 0.07135 0.18610 0.16836 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
I4 I 0.42581 0.81390 0.83164 1.00000
I5 I 0.57419 0.18610 0.16836 1.00000
Br1 Br 0.07369 0.20345 0.64917 1.00000
Br2 Br 0.92631 0.79655 0.35083 1.00000
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