Rb2BF5
Alexandria ALEXAlex-ID: agm005941219 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1562_spg14
RbBF4 RbF
2023-09-07 17:01:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005941219).
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 agm005941219
data_agm005941219
_cell_length_a 5.25096
_cell_length_b 8.73932
_cell_length_c 12.80054
_cell_angle_alpha 89.99981
_cell_angle_beta 89.99947
_cell_angle_gamma 89.40313
_cell_volume 587.38293
_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 0.25316 0.63675 0.05384 1.00000
Rb2 Rb 0.74683 0.36327 0.94621 1.00000
Rb3 Rb 0.74685 0.86325 0.55379 1.00000
Rb4 Rb 0.25316 0.13672 0.44617 1.00000
Rb5 Rb 0.25871 0.14701 0.78192 1.00000
Rb6 Rb 0.74129 0.85298 0.21810 1.00000
Rb7 Rb 0.74129 0.35299 0.28190 1.00000
Rb8 Rb 0.25872 0.64700 0.71809 1.00000
B1 B 0.80898 0.87923 0.88090 1.00000
B2 B 0.19103 0.12078 0.11912 1.00000
B3 B 0.19103 0.62076 0.38087 1.00000
B4 B 0.80897 0.37924 0.61909 1.00000
F1 F 0.07743 0.85698 0.88909 1.00000
F2 F 0.92258 0.14302 0.11093 1.00000
F3 F 0.92259 0.64302 0.38906 1.00000
F4 F 0.07742 0.35698 0.61092 1.00000
F5 F 0.24239 0.46265 0.36295 1.00000
F6 F 0.75762 0.53735 0.63703 1.00000
F7 F 0.75759 0.03734 0.86294 1.00000
F8 F 0.24240 0.96267 0.13709 1.00000
F9 F 0.31094 0.67063 0.47255 1.00000
F10 F 0.68906 0.32941 0.52740 1.00000
F11 F 0.68905 0.82941 0.97260 1.00000
F12 F 0.31097 0.17060 0.02743 1.00000
F13 F 0.72040 0.79382 0.79348 1.00000
F14 F 0.27957 0.20619 0.20655 1.00000
F15 F 0.27959 0.70611 0.29342 1.00000
F16 F 0.72038 0.29386 0.70652 1.00000
F17 F 0.24326 0.94699 0.61931 1.00000
F18 F 0.75674 0.05301 0.38067 1.00000
F19 F 0.75674 0.55301 0.11933 1.00000
F20 F 0.24324 0.44698 0.88070 1.00000
