KReBr5
Alexandria ALEXAlex-ID: agm005753190 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1052_spg15
KReBr6 K2ReBr6 KRe3Br10
2023-07-14 10:46:36.739763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753190).
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 agm005753190
data_agm005753190
_cell_length_a 9.29171
_cell_length_b 9.29171
_cell_length_c 7.47637
_cell_angle_alpha 69.77159
_cell_angle_beta 69.77159
_cell_angle_gamma 104.31122
_cell_volume 516.66166
_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
K1 K 0.17084 0.32911 0.25002 1.00000
K2 K 0.82911 0.67084 0.75002 1.00000
Re1 Re 0.99998 0.00004 0.99996 1.00000
Re2 Re 0.50004 0.49998 0.49996 1.00000
Br1 Br 0.15843 0.97852 0.21539 1.00000
Br2 Br 0.41615 0.68750 0.26405 1.00000
Br3 Br 0.47852 0.65843 0.71539 1.00000
Br4 Br 0.82246 0.67749 0.25003 1.00000
Br5 Br 0.81249 0.08386 0.23605 1.00000
Br6 Br 0.18750 0.91615 0.76405 1.00000
Br7 Br 0.17749 0.32246 0.75003 1.00000
Br8 Br 0.52150 0.34161 0.28451 1.00000
Br9 Br 0.58386 0.31249 0.73605 1.00000
Br10 Br 0.84161 0.02150 0.78451 1.00000
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