Cs2In4Te5
Alexandria ALEXAlex-ID: agm003364652 · 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
A2B4C5_415_spg12
CsInTe2 InTe In
2022-02-05 06:54:31.138688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364652).
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 agm003364652
data_agm003364652
_cell_length_a 8.28163
_cell_length_b 9.33167
_cell_length_c 7.97684
_cell_angle_alpha 90.66884
_cell_angle_beta 58.72779
_cell_angle_gamma 63.65740
_cell_volume 447.99087
_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
Cs1 Cs 0.28522 0.81530 0.61425 1.00000
Cs2 Cs 0.71478 0.18470 0.38575 1.00000
In1 In 0.32208 0.13080 0.22504 1.00000
In2 In 0.67792 0.86920 0.77496 1.00000
In3 In 0.78515 0.49325 0.93646 1.00000
In4 In 0.21485 0.50675 0.06354 1.00000
Te1 Te 0.17951 0.23561 0.90875 1.00000
Te2 Te 0.82049 0.76439 0.09125 1.00000
Te3 Te 0.00000 0.50000 0.50000 1.00000
Te4 Te 0.67613 0.23561 0.90875 1.00000
Te5 Te 0.32387 0.76439 0.09125 1.00000
获取直接链接