LiZnF4
Alexandria ALEXAlex-ID: agm005758708 · 空间群: I4_1md (#109)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_22_spg109
LiZn3F8 LiF3 Li2ZnF4
2023-07-29 00:32:02.107042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758708).
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 agm005758708
data_agm005758708
_cell_length_a 5.65831
_cell_length_b 5.65831
_cell_length_c 5.65830
_cell_angle_alpha 106.26468
_cell_angle_beta 106.26468
_cell_angle_gamma 116.09431
_cell_volume 138.04273
_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 0.75763 0.75763 1.00000 1.00000
Li2 Li 0.50763 0.00763 0.50000 1.00000
Zn1 Zn 0.24439 0.24439 1.00000 1.00000
Zn2 Zn 0.99439 0.49439 0.50000 1.00000
F1 F 0.76126 0.45298 0.69171 1.00000
F2 F 0.23775 0.92488 0.68713 1.00000
F3 F 0.20298 0.01126 0.19171 1.00000
F4 F 0.67488 0.48775 0.18713 1.00000
F5 F 0.30062 0.48775 0.81287 1.00000
F6 F 0.81955 0.01126 0.80829 1.00000
F7 F 0.76126 0.06955 0.30829 1.00000
F8 F 0.23775 0.55062 0.31287 1.00000
获取直接链接