CeYF7
Alexandria ALEXAlex-ID: agm024153930 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
Ce3YF15 YF3
2025-01-04 06:20:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024153930).
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 agm024153930
data_agm024153930
_cell_length_a 9.30745
_cell_length_b 5.93543
_cell_length_c 12.62121
_cell_angle_alpha 90.00000
_cell_angle_beta 117.24389
_cell_angle_gamma 90.00000
_cell_volume 619.89444
_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 0.77262 0.25526 0.04598 1.00000
Ce2 Ce 0.22739 0.75526 0.45402 1.00000
Ce3 Ce 0.22739 0.74474 0.95402 1.00000
Ce4 Ce 0.77262 0.24474 0.54598 1.00000
Y1 Y 0.31767 0.25501 0.23195 1.00000
Y2 Y 0.68233 0.75501 0.26805 1.00000
Y3 Y 0.68233 0.74499 0.76805 1.00000
Y4 Y 0.31767 0.24499 0.73195 1.00000
F1 F 0.21283 0.52194 0.58144 1.00000
F2 F 0.78717 0.02194 0.91856 1.00000
F3 F 0.78717 0.47806 0.41856 1.00000
F4 F 0.21283 0.97806 0.08144 1.00000
F5 F 0.77576 0.55712 0.94649 1.00000
F6 F 0.22424 0.05712 0.55351 1.00000
F7 F 0.22424 0.44288 0.05351 1.00000
F8 F 0.77576 0.94288 0.44649 1.00000
F9 F 0.03301 0.23244 0.64418 1.00000
F10 F 0.96699 0.73244 0.85582 1.00000
F11 F 0.96699 0.76756 0.35582 1.00000
F12 F 0.03301 0.26756 0.14418 1.00000
F13 F 0.51336 0.24469 0.43771 1.00000
F14 F 0.48664 0.74469 0.06229 1.00000
F15 F 0.48664 0.75531 0.56229 1.00000
F16 F 0.51336 0.25531 0.93771 1.00000
F17 F 0.23459 0.01654 0.84023 1.00000
F18 F 0.76541 0.51654 0.65977 1.00000
F19 F 0.76541 0.98346 0.15977 1.00000
F20 F 0.23459 0.48346 0.34023 1.00000
F21 F 0.24886 0.97352 0.32166 1.00000
F22 F 0.75114 0.47352 0.17834 1.00000
F23 F 0.75114 0.02648 0.67834 1.00000
F24 F 0.24886 0.52648 0.82166 1.00000
F25 F 0.47732 0.55584 0.26021 1.00000
F26 F 0.52268 0.05584 0.23979 1.00000
F27 F 0.52268 0.44416 0.73979 1.00000
F28 F 0.47732 0.94416 0.76021 1.00000
