CeYF7
Alexandria ALEXAlex-ID: agm024115467 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
Ce3YF15 YF3
2024-12-03 03:44:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024115467).
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 agm024115467
data_agm024115467
_cell_length_a 6.28313
_cell_length_b 6.01942
_cell_length_c 8.56260
_cell_angle_alpha 90.00000
_cell_angle_beta 103.59714
_cell_angle_gamma 90.00000
_cell_volume 314.76788
_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 0.31838 0.29644 0.72564 1.00000
Ce2 Ce 0.68162 0.79644 0.27436 1.00000
Y1 Y 0.14666 0.29757 0.18398 1.00000
Y2 Y 0.85334 0.79757 0.81602 1.00000
F1 F 0.99771 0.05221 0.99772 1.00000
F2 F 0.00229 0.55221 0.00228 1.00000
F3 F 0.41448 0.55671 0.25499 1.00000
F4 F 0.58552 0.05671 0.74501 1.00000
F5 F 0.41841 0.04169 0.25387 1.00000
F6 F 0.58159 0.54169 0.74613 1.00000
F7 F 0.92746 0.05789 0.29169 1.00000
F8 F 0.07254 0.55789 0.70831 1.00000
F9 F 0.27119 0.29851 0.46813 1.00000
F10 F 0.72881 0.79851 0.53187 1.00000
F11 F 0.36214 0.29907 0.98316 1.00000
F12 F 0.63786 0.79907 0.01684 1.00000
F13 F 0.91558 0.52314 0.29050 1.00000
F14 F 0.08442 0.02314 0.70950 1.00000
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