CeY2F9
Alexandria ALEXAlex-ID: agm102018041 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_672_spg1
YF3 CeF3
2025-05-19 15:47:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102018041).
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 agm102018041
data_agm102018041
_cell_length_a 4.22554
_cell_length_b 7.02822
_cell_length_c 7.02736
_cell_angle_alpha 65.65413
_cell_angle_beta 95.75609
_cell_angle_gamma 84.34869
_cell_volume 186.91749
_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 0.76213 0.07824 0.92133 1.00000
Y1 Y 0.12600 0.62997 0.69683 1.00000
Y2 Y 0.12563 0.30374 0.36997 1.00000
F1 F 0.65136 0.50046 0.73726 1.00000
F2 F 0.02246 0.62118 0.37905 1.00000
F3 F 0.24872 0.45420 0.04926 1.00000
F4 F 0.19015 0.27572 0.72442 1.00000
F5 F 0.65132 0.26214 0.49947 1.00000
F6 F 0.82635 0.17495 0.18908 1.00000
F7 F 0.32378 0.93824 0.06127 1.00000
F8 F 0.24703 0.95131 0.54653 1.00000
F9 F 0.82507 0.80986 0.82553 1.00000
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