Cu8TeS6
Alexandria ALEXAlex-ID: agm072415573 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_3_spg148
Cu3S2 CuTe CuS
2024-10-07 08:42:54.803963
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072415573).
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 agm072415573
data_agm072415573
_cell_length_a 6.31302
_cell_length_b 6.31302
_cell_length_c 6.31302
_cell_angle_alpha 99.11160
_cell_angle_beta 99.11160
_cell_angle_gamma 99.11160
_cell_volume 240.91029
_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
Cu1 Cu 0.69320 0.69320 0.69320 1.00000
Cu2 Cu 0.30680 0.30680 0.30680 1.00000
Cu3 Cu 0.09268 0.59116 0.80909 1.00000
Cu4 Cu 0.59116 0.80909 0.09268 1.00000
Cu5 Cu 0.80909 0.09268 0.59116 1.00000
Cu6 Cu 0.90732 0.40884 0.19091 1.00000
Cu7 Cu 0.40884 0.19091 0.90732 1.00000
Cu8 Cu 0.19091 0.90732 0.40884 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
S1 S 0.82156 0.73380 0.38303 1.00000
S2 S 0.73380 0.38303 0.82156 1.00000
S3 S 0.38303 0.82156 0.73380 1.00000
S4 S 0.17844 0.26620 0.61697 1.00000
S5 S 0.26620 0.61697 0.17844 1.00000
S6 S 0.61697 0.17844 0.26620 1.00000
获取直接链接