LiSbF4
Alexandria ALEXAlex-ID: agm002159459 · 空间群: I4_1 (#80)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_7_spg141
LiSb2F7 LiF
2018-07-20 20:37:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002159459).
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 agm002159459
data_agm002159459
_cell_length_a 5.32527
_cell_length_b 5.31869
_cell_length_c 6.91332
_cell_angle_alpha 112.70186
_cell_angle_beta 112.54676
_cell_angle_gamma 90.08201
_cell_volume 164.24710
_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
Sb1 Sb 0.84405 0.59432 0.68873 1.00000
Sb2 Sb 0.09460 0.34483 0.18925 1.00000
Li1 Li 0.37394 0.12381 0.74763 1.00000
Li2 Li 0.62267 0.87254 0.24547 1.00000
F1 F 0.27931 0.98393 0.10353 1.00000
F2 F 0.12025 0.77936 0.60362 1.00000
F3 F 0.48278 0.32491 0.60384 1.00000
F4 F 0.82483 0.62010 0.10346 1.00000
F5 F 0.74097 0.06691 0.92864 1.00000
F6 F 0.86075 0.24019 0.42852 1.00000
F7 F 0.56768 0.68702 0.42816 1.00000
F8 F 0.18816 0.36207 0.92915 1.00000
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