Sr2UTlS6
Alexandria ALEXAlex-ID: agm004959862 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Sr2U(TlS2)3 Sr5(US4)3 SrS TlS11
2022-08-03 02:24:20.447835
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004959862).
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 agm004959862
data_agm004959862
_cell_length_a 7.26057
_cell_length_b 7.26083
_cell_length_c 7.46242
_cell_angle_alpha 60.88738
_cell_angle_beta 60.89038
_cell_angle_gamma 59.99899
_cell_volume 281.85426
_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
Sr1 Sr 0.53449 0.53445 0.39662 1.00000
Sr2 Sr 0.02183 0.02182 0.93453 1.00000
U1 U 0.32244 0.32244 0.03267 1.00000
Tl1 Tl 0.81020 0.81024 0.56930 1.00000
S1 S 0.56939 0.19510 0.25397 1.00000
S2 S 0.19508 0.98160 0.25401 1.00000
S3 S 0.98164 0.56932 0.25401 1.00000
S4 S 0.43747 0.67181 0.77333 1.00000
S5 S 0.67176 0.11731 0.77340 1.00000
S6 S 0.11730 0.43750 0.77337 1.00000
获取直接链接