Rb4As2S5
Alexandria ALEXAlex-ID: agm005657103 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_670_spg8
Rb3AsS3 RbAsS2
2023-06-22 15:27:26.381770
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657103).
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 agm005657103
data_agm005657103
_cell_length_a 6.78376
_cell_length_b 6.78376
_cell_length_c 9.31159
_cell_angle_alpha 78.13917
_cell_angle_beta 78.13918
_cell_angle_gamma 70.23750
_cell_volume 390.33671
_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
Rb1 Rb 0.93116 0.93116 0.06651 1.00000
Rb2 Rb 0.06729 0.06729 0.49144 1.00000
Rb3 Rb 0.36611 0.36611 0.11108 1.00000
Rb4 Rb 0.69208 0.69208 0.82233 1.00000
As1 As 0.34820 0.34820 0.71697 1.00000
As2 As 0.60581 0.60581 0.34138 1.00000
S1 S 0.22073 0.67743 0.77475 1.00000
S2 S 0.84543 0.39944 0.18574 1.00000
S3 S 0.39944 0.84543 0.18574 1.00000
S4 S 0.67743 0.22073 0.77475 1.00000
S5 S 0.38935 0.38935 0.45804 1.00000
获取直接链接