Rb2NiBr4
Alexandria ALEXAlex-ID: agm017685996 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_34_spg121
NiBr2 RbBr
2025-04-18 19:17:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017685996).
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 agm017685996
data_agm017685996
_cell_length_a 7.13783
_cell_length_b 7.13783
_cell_length_c 7.13783
_cell_angle_alpha 115.16073
_cell_angle_beta 115.16073
_cell_angle_gamma 98.60849
_cell_volume 272.61617
_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 0.75000 0.25000 0.50000 1.00000
Rb2 Rb 0.25000 0.75000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.21747 0.78253 0.00000 1.00000
Br2 Br 0.78253 0.21747 0.00000 1.00000
Br3 Br 0.21747 0.21747 0.43495 1.00000
Br4 Br 0.78253 0.78253 0.56505 1.00000
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