Rb5LiF5
Alexandria ALEXAlex-ID: agm003672828 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
LiF Rb RbF
2022-04-09 14:45:26.553646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672828).
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 agm003672828
data_agm003672828
_cell_length_a 5.59789
_cell_length_b 6.80942
_cell_length_c 8.15420
_cell_angle_alpha 103.51215
_cell_angle_beta 90.00000
_cell_angle_gamma 114.27021
_cell_volume 273.88795
_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 0.66727 0.33455 0.31712 1.00000
Rb2 Rb 0.67010 0.34021 0.85329 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.32990 0.65979 0.14671 1.00000
Rb5 Rb 0.33273 0.66545 0.68288 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
F1 F 0.88170 0.76340 0.10812 1.00000
F2 F 0.81864 0.63729 0.64386 1.00000
F3 F 0.50000 0.00000 0.00000 1.00000
F4 F 0.18136 0.36271 0.35614 1.00000
F5 F 0.11830 0.23660 0.89188 1.00000
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