Ce3YF15
Alexandria ALEXAlex-ID: agm022399072 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C15_5_spg160
Ce3YF15
2024-10-26 17:12:09.458757
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022399072).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm022399072
data_agm022399072
_cell_length_a 7.86161
_cell_length_b 7.86161
_cell_length_c 7.86161
_cell_angle_alpha 113.29224
_cell_angle_beta 113.29224
_cell_angle_gamma 113.29224
_cell_volume 310.08220
_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 0.64165 0.64165 0.21706 1.00000
Ce2 Ce 0.64165 0.21706 0.64165 1.00000
Ce3 Ce 0.21706 0.64165 0.64165 1.00000
Y1 Y 0.00446 0.00446 0.00446 1.00000
F1 F 0.34812 0.88471 0.55563 1.00000
F2 F 0.88471 0.55563 0.34812 1.00000
F3 F 0.88471 0.34812 0.55563 1.00000
F4 F 0.55563 0.34812 0.88471 1.00000
F5 F 0.55563 0.88471 0.34812 1.00000
F6 F 0.34812 0.55563 0.88471 1.00000
F7 F 0.90239 0.90239 0.24106 1.00000
F8 F 0.90239 0.24106 0.90239 1.00000
F9 F 0.24106 0.90239 0.90239 1.00000
F10 F 0.33749 0.33749 0.12439 1.00000
F11 F 0.33749 0.12439 0.33749 1.00000
F12 F 0.12439 0.33749 0.33749 1.00000
F13 F 0.83714 0.83714 0.61578 1.00000
F14 F 0.83714 0.61578 0.83714 1.00000
F15 F 0.61578 0.83714 0.83714 1.00000
获取直接链接