Rb2BrN
Alexandria ALEXAlex-ID: agm002861902 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
Rb RbBr RbN3
2016-12-22 01:49:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002861902).
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 agm002861902
data_agm002861902
_cell_length_a 6.98901
_cell_length_b 6.98901
_cell_length_c 9.26562
_cell_angle_alpha 67.84290
_cell_angle_beta 67.84290
_cell_angle_gamma 90.00000
_cell_volume 382.83924
_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
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.75000 0.25000 0.50000 1.00000
Rb1 Rb 0.57246 0.12500 0.25000 1.00000
Rb2 Rb 0.17754 0.62500 0.25000 1.00000
Rb3 Rb 0.37500 0.42754 0.75000 1.00000
Rb4 Rb 0.87500 0.82246 0.75000 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
N2 N 0.25000 0.75000 0.50000 1.00000
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