Rb2BaTlBr5
Alexandria ALEXAlex-ID: agm005151502 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
Rb3TlBr4 RbTlBr2 BaBr2
2023-01-21 05:53:07.617344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151502).
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 agm005151502
data_agm005151502
_cell_length_a 4.91325
_cell_length_b 10.50041
_cell_length_c 16.08808
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.53004
_cell_volume 806.96811
_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 0.87233 0.74466 0.79358 1.00000
Rb2 Rb 0.07346 0.14692 0.65234 1.00000
Rb3 Rb 0.12767 0.25534 0.29358 1.00000
Rb4 Rb 0.92654 0.85308 0.15234 1.00000
Ba1 Ba 0.76078 0.52157 0.53165 1.00000
Ba2 Ba 0.23922 0.47843 0.03165 1.00000
Tl1 Tl 0.55279 0.10559 0.94732 1.00000
Tl2 Tl 0.44721 0.89441 0.44732 1.00000
Br1 Br 0.39373 0.78746 0.99545 1.00000
Br2 Br 0.71876 0.43752 0.90179 1.00000
Br3 Br 0.49317 0.98633 0.76394 1.00000
Br4 Br 0.24806 0.49612 0.66586 1.00000
Br5 Br 0.91462 0.82924 0.57206 1.00000
Br6 Br 0.60627 0.21254 0.49545 1.00000
Br7 Br 0.28124 0.56248 0.40179 1.00000
Br8 Br 0.50683 0.01367 0.26394 1.00000
Br9 Br 0.75194 0.50388 0.16586 1.00000
Br10 Br 0.08538 0.17076 0.07206 1.00000
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