Rb2BPBr6
Alexandria ALEXAlex-ID: agm004480201 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_376_spg139
RbBBr4 BP RbBr PBr3
2017-08-18 18:00:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004480201).
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 agm004480201
data_agm004480201
_cell_length_a 8.12426
_cell_length_b 8.12426
_cell_length_c 7.54725
_cell_angle_alpha 57.43701
_cell_angle_beta 57.43701
_cell_angle_gamma 90.00000
_cell_volume 323.07464
_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
P1 P 0.00000 0.00000 0.00000 1.00000
B1 B 0.50000 0.50000 0.00000 1.00000
Br1 Br 0.30496 0.30496 0.39008 1.00000
Br2 Br 0.69504 0.69504 0.60992 1.00000
Br3 Br 0.22779 0.22779 0.00000 1.00000
Br4 Br 0.77221 0.77221 0.00000 1.00000
Br5 Br 0.77221 0.22779 0.00000 1.00000
Br6 Br 0.22779 0.77221 0.00000 1.00000
Rb1 Rb 0.75000 0.25000 0.50000 1.00000
Rb2 Rb 0.25000 0.75000 0.50000 1.00000
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