U3CoS6
Alexandria ALEXAlex-ID: agm003572291 · 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
AB3C6_316_spg148
UCoS2 US2
2022-04-02 04:24:46.322291
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003572291).
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 agm003572291
data_agm003572291
_cell_length_a 7.61277
_cell_length_b 7.61277
_cell_length_c 7.61277
_cell_angle_alpha 99.65803
_cell_angle_beta 99.65803
_cell_angle_gamma 99.65803
_cell_volume 419.97265
_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
U1 U 0.37569 0.88087 0.70792 1.00000
U2 U 0.88087 0.70792 0.37569 1.00000
U3 U 0.29208 0.62431 0.11913 1.00000
U4 U 0.70792 0.37569 0.88087 1.00000
U5 U 0.11913 0.29208 0.62431 1.00000
U6 U 0.62431 0.11913 0.29208 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.50000 0.50000 0.50000 1.00000
S1 S 0.30513 0.96774 0.06151 1.00000
S2 S 0.03226 0.93849 0.69487 1.00000
S3 S 0.57224 0.81033 0.43646 1.00000
S4 S 0.93849 0.69487 0.03226 1.00000
S5 S 0.43646 0.57224 0.81033 1.00000
S6 S 0.18967 0.56354 0.42776 1.00000
S7 S 0.81033 0.43646 0.57224 1.00000
S8 S 0.56354 0.42776 0.18967 1.00000
S9 S 0.06151 0.30513 0.96774 1.00000
S10 S 0.42776 0.18967 0.56354 1.00000
S11 S 0.96774 0.06151 0.30513 1.00000
S12 S 0.69487 0.03226 0.93849 1.00000
获取直接链接