LiSnBr3
Alexandria ALEXAlex-ID: agm002157342 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_78_spg160
SnBr2 LiBr
2018-05-24 14:33:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002157342).
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 agm002157342
data_agm002157342
_cell_length_a 5.51623
_cell_length_b 5.51618
_cell_length_c 5.52672
_cell_angle_alpha 86.55941
_cell_angle_beta 86.58759
_cell_angle_gamma 86.59884
_cell_volume 167.30656
_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
Sn1 Sn 0.47118 0.48311 0.47277 1.00000
Br1 Br 0.13929 0.64205 0.14274 1.00000
Br2 Br 0.14062 0.15130 0.63250 1.00000
Br3 Br 0.63017 0.15183 0.14233 1.00000
Li1 Li 0.11874 0.13171 0.11967 1.00000
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