La5SnI5
Alexandria ALEXAlex-ID: agm006060880 · 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
AB5C5_17_spg5
La3SnI3 LaI
2023-08-08 10:39:03.391630
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006060880).
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 agm006060880
data_agm006060880
_cell_length_a 7.83173
_cell_length_b 7.83173
_cell_length_c 9.22916
_cell_angle_alpha 73.24718
_cell_angle_beta 73.24718
_cell_angle_gamma 48.48275
_cell_volume 402.12054
_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
La1 La 0.82230 0.82230 0.86033 1.00000
La2 La 0.83819 0.83819 0.31419 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
La4 La 0.16181 0.16181 0.68581 1.00000
La5 La 0.17770 0.17770 0.13967 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
I1 I 0.65962 0.65962 0.65429 1.00000
I2 I 0.64882 0.64882 0.20063 1.00000
I3 I 0.00000 0.00000 0.50000 1.00000
I4 I 0.35118 0.35118 0.79937 1.00000
I5 I 0.34038 0.34038 0.34571 1.00000
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