U3RhS6
Alexandria ALEXAlex-ID: agm003572268 · 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
U2S3 U6Rh2S15 URh3
2022-04-02 08:36:55.639300
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003572268).
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
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# CIF generated by HEAS from Alexandria entry agm003572268
data_agm003572268
_cell_length_a 7.68547
_cell_length_b 7.68547
_cell_length_c 7.68547
_cell_angle_alpha 99.82636
_cell_angle_beta 99.82636
_cell_angle_gamma 99.82636
_cell_volume 431.29980
_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 0.37968 0.87340 0.70328 1.00000
U2 U 0.87340 0.70328 0.37968 1.00000
U3 U 0.29672 0.62032 0.12660 1.00000
U4 U 0.70328 0.37968 0.87340 1.00000
U5 U 0.12660 0.29672 0.62032 1.00000
U6 U 0.62032 0.12660 0.29672 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
S1 S 0.30860 0.95893 0.05756 1.00000
S2 S 0.04107 0.94244 0.69140 1.00000
S3 S 0.57114 0.81748 0.42833 1.00000
S4 S 0.94244 0.69140 0.04107 1.00000
S5 S 0.42833 0.57114 0.81748 1.00000
S6 S 0.18252 0.57167 0.42886 1.00000
S7 S 0.81748 0.42833 0.57114 1.00000
S8 S 0.57167 0.42886 0.18252 1.00000
S9 S 0.05756 0.30860 0.95893 1.00000
S10 S 0.42886 0.18252 0.57167 1.00000
S11 S 0.95893 0.05756 0.30860 1.00000
S12 S 0.69140 0.04107 0.94244 1.00000
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