CeCu2F6
Alexandria ALEXAlex-ID: agm005707732 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2284_spg12
Cu7F12 Ce4F15 Cu
2023-07-07 03:21:06.662158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707732).
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 agm005707732
data_agm005707732
_cell_length_a 4.11444
_cell_length_b 4.20347
_cell_length_c 9.54502
_cell_angle_alpha 89.17667
_cell_angle_beta 90.00003
_cell_angle_gamma 119.30182
_cell_volume 143.93932
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.85045 0.70090 0.90910 1.00000
Cu2 Cu 0.14955 0.29910 0.09090 1.00000
F1 F 0.31712 0.63423 0.92404 1.00000
F2 F 0.68288 0.36577 0.07596 1.00000
F3 F 0.01747 0.03493 0.26901 1.00000
F4 F 0.66491 0.32981 0.54231 1.00000
F5 F 0.98253 0.96507 0.73099 1.00000
F6 F 0.33509 0.67019 0.45769 1.00000
Get direct link