Tc6AuS8
Alexandria ALEXAlex-ID: agm073000709 · 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_61_spg2
Tc Au TcS2
2024-10-07 08:46:09.616248
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073000709).
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 agm073000709
data_agm073000709
_cell_length_a 6.44308
_cell_length_b 6.44308
_cell_length_c 6.44308
_cell_angle_alpha 93.47462
_cell_angle_beta 93.47462
_cell_angle_gamma 93.47462
_cell_volume 265.93617
_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
Tc1 Tc 0.44927 0.77835 0.58722 1.00000
Tc2 Tc 0.77835 0.58722 0.44927 1.00000
Tc3 Tc 0.58722 0.44927 0.77835 1.00000
Tc4 Tc 0.55073 0.22165 0.41278 1.00000
Tc5 Tc 0.22165 0.41278 0.55073 1.00000
Tc6 Tc 0.41278 0.55073 0.22165 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
S1 S 0.77712 0.77712 0.77712 1.00000
S2 S 0.22288 0.22288 0.22288 1.00000
S3 S 0.87059 0.27402 0.63080 1.00000
S4 S 0.27402 0.63080 0.87059 1.00000
S5 S 0.63080 0.87059 0.27402 1.00000
S6 S 0.12941 0.72598 0.36920 1.00000
S7 S 0.72598 0.36920 0.12941 1.00000
S8 S 0.36920 0.12941 0.72598 1.00000
获取直接链接