ReBr3
Alexandria ALEXAlex-ID: agm005496265 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1193_spg139
ReBr6 Re
2023-03-20 09:56:28.405945
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005496265).
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 agm005496265
data_agm005496265
_cell_length_a 13.47306
_cell_length_b 13.47306
_cell_length_c 13.47306
_cell_angle_alpha 162.30794
_cell_angle_beta 162.30794
_cell_angle_gamma 25.12182
_cell_volume 225.80619
_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 0.69515 0.69515 0.00000 1.00000
Re2 Re 0.30485 0.30485 0.00000 1.00000
Br1 Br 0.00000 0.50000 0.50000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.75000 0.25000 0.50000 1.00000
Br4 Br 0.25000 0.75000 0.50000 1.00000
Br5 Br 0.85667 0.85667 0.00000 1.00000
Br6 Br 0.14333 0.14333 0.00000 1.00000
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