Re2I4Br5
Alexandria ALEXAlex-ID: agm005682173 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_697_spg2
ReI3 I ReBr6
2023-06-21 15:22:03.368158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682173).
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 agm005682173
data_agm005682173
_cell_length_a 7.63958
_cell_length_b 10.23645
_cell_length_c 8.54532
_cell_angle_alpha 90.06563
_cell_angle_beta 78.17915
_cell_angle_gamma 131.02073
_cell_volume 485.38656
_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
Re1 Re 0.88830 0.93594 0.41043 1.00000
Re2 Re 0.11169 0.06406 0.58957 1.00000
I1 I 0.52916 0.22336 0.40179 1.00000
I2 I 0.42295 0.71528 0.09722 1.00000
I3 I 0.47084 0.77662 0.59823 1.00000
I4 I 0.57703 0.28476 0.90280 1.00000
Br1 Br 0.09683 0.27908 0.67014 1.00000
Br2 Br 0.97969 0.83779 0.79104 1.00000
Br3 Br 1.00000 0.49998 0.99999 1.00000
Br4 Br 0.02036 0.16222 0.20895 1.00000
Br5 Br 0.90314 0.72091 0.32984 1.00000
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