In2SbTe6
Alexandria ALEXAlex-ID: agm003500436 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_692_spg15
In7Te10 In2Te5 Sb2Te3
2022-02-24 22:26:34.273994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500436).
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 agm003500436
data_agm003500436
_cell_length_a 7.84909
_cell_length_b 9.19949
_cell_length_c 9.19949
_cell_angle_alpha 86.14584
_cell_angle_beta 81.70053
_cell_angle_gamma 81.70053
_cell_volume 649.70156
_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
In1 In 0.21011 0.58958 0.78106 1.00000
In2 In 0.28989 0.21894 0.41042 1.00000
In3 In 0.78989 0.41042 0.21894 1.00000
In4 In 0.71011 0.78106 0.58958 1.00000
Sb1 Sb 0.25000 0.08162 0.91838 1.00000
Sb2 Sb 0.75000 0.91838 0.08162 1.00000
Te1 Te 0.41912 0.65547 0.50444 1.00000
Te2 Te 0.08088 0.49556 0.34453 1.00000
Te3 Te 0.58088 0.34453 0.49556 1.00000
Te4 Te 0.91912 0.50444 0.65547 1.00000
Te5 Te 0.87001 0.97017 0.37428 1.00000
Te6 Te 0.62999 0.62572 0.02983 1.00000
Te7 Te 0.12999 0.02983 0.62572 1.00000
Te8 Te 0.37001 0.37428 0.97017 1.00000
Te9 Te 0.13067 0.78628 0.00761 1.00000
Te10 Te 0.36933 0.99239 0.21372 1.00000
Te11 Te 0.86933 0.21372 0.99239 1.00000
Te12 Te 0.63067 0.00761 0.78628 1.00000
获取直接链接