Rb2As2Br
Alexandria ALEXAlex-ID: agm002956979 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3_spg127
Rb2As3 Rb3As7 RbBr
2017-06-30 06:58:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002956979).
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
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# CIF generated by HEAS from Alexandria entry agm002956979
data_agm002956979
_cell_length_a 9.15666
_cell_length_b 9.15666
_cell_length_c 4.57690
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 383.74765
_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
As1 As 0.41457 0.91457 0.00000 1.00000
As2 As 0.91457 0.58543 0.00000 1.00000
As3 As 0.58543 0.08543 0.00000 1.00000
As4 As 0.08543 0.41457 0.00000 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.50000 0.50000 0.00000 1.00000
Rb1 Rb 0.20533 0.70533 0.50000 1.00000
Rb2 Rb 0.70533 0.79467 0.50000 1.00000
Rb3 Rb 0.79467 0.29467 0.50000 1.00000
Rb4 Rb 0.29467 0.20533 0.50000 1.00000
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