Li2AsF6
Alexandria ALEXAlex-ID: agm097801441 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3908_spg2
LiAsF6 AsF3 LiF
2025-04-07 00:46:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097801441).
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
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# CIF generated by HEAS from Alexandria entry agm097801441
data_agm097801441
_cell_length_a 3.95284
_cell_length_b 3.95328
_cell_length_c 8.65339
_cell_angle_alpha 89.84970
_cell_angle_beta 89.84665
_cell_angle_gamma 90.11993
_cell_volume 135.22243
_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 0.10233 0.10451 0.25018 1.00000
Li2 Li 0.59960 0.60221 0.25125 1.00000
As1 As 0.51664 0.51484 0.74953 1.00000
F1 F 0.51694 0.51533 0.95865 1.00000
F2 F 0.51955 0.51771 0.54035 1.00000
F3 F 0.51983 0.02212 0.74948 1.00000
F4 F 0.60221 0.10122 0.25050 1.00000
F5 F 0.02412 0.51740 0.74945 1.00000
F6 F 0.09878 0.60466 0.25061 1.00000
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