CsLi(NF4)2
Alexandria ALEXAlex-ID: agm004875649 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_446_spg2
CsLiF2 NF3
2023-01-01 22:26:11.798785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875649).
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 agm004875649
data_agm004875649
_cell_length_a 6.37097
_cell_length_b 5.38017
_cell_length_c 7.46828
_cell_angle_alpha 70.51055
_cell_angle_beta 64.75210
_cell_angle_gamma 53.69535
_cell_volume 185.43121
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
N1 N 0.32605 0.15282 0.19507 1.00000
N2 N 0.67395 0.84718 0.80493 1.00000
F1 F 0.83917 0.68127 0.64039 1.00000
F2 F 0.71225 0.61459 0.96091 1.00000
F3 F 0.16083 0.31873 0.35961 1.00000
F4 F 0.28775 0.38541 0.03909 1.00000
F5 F 0.64746 0.08713 0.20668 1.00000
F6 F 0.35254 0.91287 0.79332 1.00000
F7 F 0.05873 0.08713 0.20668 1.00000
F8 F 0.94127 0.91287 0.79332 1.00000
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