RbFeBr3
Alexandria ALEXAlex-ID: agm003064580 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1153_spg15
Rb3(FeBr4)2 RbFeBr4 Fe
2016-04-17 22:05:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003064580).
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 agm003064580
data_agm003064580
_cell_length_a 14.87356
_cell_length_b 9.65015
_cell_length_c 9.65015
_cell_angle_alpha 89.19646
_cell_angle_beta 129.29975
_cell_angle_gamma 50.70025
_cell_volume 597.71309
_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 0.41459 0.42337 0.44221 1.00000
Br2 Br 0.08541 0.94221 0.92337 1.00000
Br3 Br 0.58541 0.57663 0.55779 1.00000
Br4 Br 0.91459 0.05779 0.07663 1.00000
Br5 Br 0.07463 0.21170 0.15904 1.00000
Br6 Br 0.42537 0.65904 0.71170 1.00000
Br7 Br 0.92537 0.78830 0.84096 1.00000
Br8 Br 0.57463 0.34096 0.28830 1.00000
Br9 Br 0.60656 0.84105 0.83693 1.00000
Br10 Br 0.89344 0.33693 0.34105 1.00000
Br11 Br 0.39344 0.15895 0.16307 1.00000
Br12 Br 0.10656 0.66307 0.65895 1.00000
Rb1 Rb 0.11105 0.47040 0.34744 1.00000
Rb2 Rb 0.38895 0.84744 0.97040 1.00000
Rb3 Rb 0.88895 0.52960 0.65256 1.00000
Rb4 Rb 0.61105 0.15256 0.02960 1.00000
Fe1 Fe 0.75000 0.18667 0.68667 1.00000
Fe2 Fe 0.25000 0.81333 0.31333 1.00000
Fe3 Fe 0.75000 0.45454 0.95454 1.00000
Fe4 Fe 0.25000 0.54546 0.04546 1.00000
