LiSbF5
Alexandria ALEXAlex-ID: agm002157705 · 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
ABC5_18_spg82
LiSbF6 LiSb2F7 LiF
2018-05-29 18:18:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002157705).
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 agm002157705
data_agm002157705
_cell_length_a 4.24774
_cell_length_b 5.41434
_cell_length_c 5.41415
_cell_angle_alpha 81.15925
_cell_angle_beta 66.89352
_cell_angle_gamma 66.89592
_cell_volume 105.34325
_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 0.00010 0.99995 0.00002 1.00000
Li1 Li 0.24969 0.49997 0.50006 1.00000
F1 F 0.50007 0.99996 0.00007 1.00000
F2 F 0.94744 0.78745 0.34529 1.00000
F3 F 0.26538 0.65467 0.78728 1.00000
F4 F 0.70732 0.34533 0.21273 1.00000
F5 F 0.08022 0.21251 0.65473 1.00000
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