RbCeF4
Alexandria ALEXAlex-ID: agm003744404 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_167_spg15
RbCeF4
2022-04-18 12:47:33.361278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003744404).
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 agm003744404
data_agm003744404
_cell_length_a 6.34204
_cell_length_b 7.09450
_cell_length_c 7.22386
_cell_angle_alpha 114.59023
_cell_angle_beta 110.80294
_cell_angle_gamma 99.82711
_cell_volume 256.15947
_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 0.39468 0.64468 0.28935 1.00000
Rb2 Rb 0.60532 0.35532 0.71065 1.00000
Ce1 Ce 0.22758 0.97758 0.95516 1.00000
Ce2 Ce 0.77242 0.02242 0.04484 1.00000
F1 F 0.98293 0.19686 0.89935 1.00000
F2 F 0.80784 0.76206 0.70447 1.00000
F3 F 0.41643 0.70249 0.89935 1.00000
F4 F 0.39663 0.94241 0.70447 1.00000
F5 F 0.60337 0.05759 0.29553 1.00000
F6 F 0.58357 0.29751 0.10065 1.00000
F7 F 0.19216 0.23794 0.29553 1.00000
F8 F 0.01707 0.80314 0.10065 1.00000
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