Li2CeErF8
Alexandria ALEXAlex-ID: agm059349367 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_5_spg82
LiCeF4 LiErF4
2024-12-22 00:45:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059349367).
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 agm059349367
data_agm059349367
_cell_length_a 6.69418
_cell_length_b 6.69418
_cell_length_c 6.69418
_cell_angle_alpha 133.37665
_cell_angle_beta 133.37665
_cell_angle_gamma 68.06325
_cell_volume 155.72862
_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
Li1 Li 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.75000 0.25000 0.50000 1.00000
Ce1 Ce 0.25000 0.75000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
F1 F 0.59868 0.14404 0.89305 1.00000
F2 F 0.68332 0.61593 0.62972 1.00000
F3 F 0.85596 0.74901 0.45464 1.00000
F4 F 0.29437 0.40132 0.54536 1.00000
F5 F 0.25099 0.70563 0.10695 1.00000
F6 F 0.38407 0.01379 0.06739 1.00000
F7 F 0.98621 0.05360 0.37028 1.00000
F8 F 0.94640 0.31668 0.93261 1.00000
获取直接链接