Cs4P2AuS8
Alexandria ALEXAlex-ID: agm020107486 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D8_31_spg2
Cs4P2S9 Cs3PS4 Cs2PAuS4 CsPS3
2024-11-30 14:26:36.662647
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020107486).
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 agm020107486
data_agm020107486
_cell_length_a 7.26019
_cell_length_b 7.70483
_cell_length_c 9.75030
_cell_angle_alpha 86.30376
_cell_angle_beta 75.09015
_cell_angle_gamma 80.05799
_cell_volume 519.02395
_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
Cs1 Cs 0.26888 0.30470 0.12743 1.00000
Cs2 Cs 0.70518 0.24144 0.51337 1.00000
Cs3 Cs 0.29482 0.75856 0.48663 1.00000
Cs4 Cs 0.73112 0.69530 0.87257 1.00000
P1 P 0.84296 0.75077 0.27297 1.00000
P2 P 0.15704 0.24923 0.72703 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
S1 S 0.70266 0.97837 0.18520 1.00000
S2 S 0.76629 0.53165 0.21490 1.00000
S3 S 0.12941 0.77552 0.16902 1.00000
S4 S 0.79246 0.76631 0.48584 1.00000
S5 S 0.20754 0.23369 0.51416 1.00000
S6 S 0.87059 0.22448 0.83098 1.00000
S7 S 0.23371 0.46835 0.78510 1.00000
S8 S 0.29734 0.02163 0.81480 1.00000
获取直接链接