Li3(In2Sn)2
Alexandria ALEXAlex-ID: agm005667274 · 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
A2B3C4_1067_spg12
Li2InSn In LiSn
2023-06-27 09:19:46.260694
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667274).
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 agm005667274
data_agm005667274
_cell_length_a 4.39804
_cell_length_b 5.62307
_cell_length_c 9.74739
_cell_angle_alpha 70.23087
_cell_angle_beta 89.95955
_cell_angle_gamma 67.24068
_cell_volume 206.82173
_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 0.32975 0.34212 0.43772 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Li3 Li 0.67025 0.65788 0.56228 1.00000
In1 In 0.66829 0.66412 0.88857 1.00000
In2 In 0.00969 0.98390 0.34767 1.00000
In3 In 0.99031 0.01610 0.65233 1.00000
In4 In 0.33171 0.33588 0.11143 1.00000
Sn1 Sn 0.33531 0.32382 0.76291 1.00000
Sn2 Sn 0.66469 0.67618 0.23709 1.00000
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