Rb2Cr(BrCl)2
Alexandria ALEXAlex-ID: agm005487313 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_132_spg139
Rb3Cr2Br9 Rb3Cr2Cl9 RbBr Cr
2023-03-17 22:51:48.401426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487313).
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 agm005487313
data_agm005487313
_cell_length_a 9.22935
_cell_length_b 9.22935
_cell_length_c 9.22935
_cell_angle_alpha 147.98404
_cell_angle_beta 147.98404
_cell_angle_gamma 45.90892
_cell_volume 220.21332
_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
Rb1 Rb 0.63602 0.63602 0.00000 1.00000
Rb2 Rb 0.36398 0.36398 0.00000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.84530 0.84530 0.00000 1.00000
Br2 Br 0.15470 0.15470 0.00000 1.00000
Cl1 Cl 0.00000 0.50000 0.50000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
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