CeYF7
Alexandria ALEXAlex-ID: agm024246320 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
Ce3YF15 YF3
2024-12-03 04:18:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024246320).
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 agm024246320
data_agm024246320
_cell_length_a 9.44112
_cell_length_b 5.99084
_cell_length_c 12.54675
_cell_angle_alpha 90.00000
_cell_angle_beta 118.25837
_cell_angle_gamma 90.00000
_cell_volume 625.07192
_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 0.30860 0.25188 0.73267 1.00000
Ce2 Ce 0.69140 0.75188 0.76733 1.00000
Ce3 Ce 0.69140 0.74812 0.26733 1.00000
Ce4 Ce 0.30860 0.24812 0.23267 1.00000
Y1 Y 0.77176 0.25394 0.54345 1.00000
Y2 Y 0.22824 0.75394 0.95655 1.00000
Y3 Y 0.22824 0.74606 0.45655 1.00000
Y4 Y 0.77176 0.24606 0.04345 1.00000
F1 F 0.21443 0.51904 0.08473 1.00000
F2 F 0.78557 0.01904 0.41527 1.00000
F3 F 0.78557 0.48096 0.91527 1.00000
F4 F 0.21443 0.98096 0.58473 1.00000
F5 F 0.76751 0.55540 0.44040 1.00000
F6 F 0.23249 0.05540 0.05960 1.00000
F7 F 0.23249 0.44460 0.55960 1.00000
F8 F 0.76751 0.94460 0.94040 1.00000
F9 F 0.03380 0.23069 0.14254 1.00000
F10 F 0.96620 0.73069 0.35746 1.00000
F11 F 0.96620 0.76931 0.85746 1.00000
F12 F 0.03380 0.26931 0.64254 1.00000
F13 F 0.50990 0.24422 0.93001 1.00000
F14 F 0.49010 0.74422 0.56999 1.00000
F15 F 0.49010 0.75578 0.06999 1.00000
F16 F 0.50990 0.25578 0.43001 1.00000
F17 F 0.23784 0.00598 0.33679 1.00000
F18 F 0.76216 0.50598 0.16321 1.00000
F19 F 0.76216 0.99402 0.66321 1.00000
F20 F 0.23784 0.49402 0.83679 1.00000
F21 F 0.24609 0.97796 0.82259 1.00000
F22 F 0.75391 0.47796 0.67741 1.00000
F23 F 0.75391 0.02204 0.17741 1.00000
F24 F 0.24609 0.52204 0.32259 1.00000
F25 F 0.48133 0.57173 0.76545 1.00000
F26 F 0.51867 0.07173 0.73455 1.00000
F27 F 0.51867 0.42827 0.23455 1.00000
F28 F 0.48133 0.92827 0.26545 1.00000
