CsSiAuS3
Alexandria ALEXAlex-ID: agm020279002 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_18_spg2
CsSiAuS3
2025-03-02 04:32:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020279002).
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 agm020279002
data_agm020279002
_cell_length_a 6.42245
_cell_length_b 7.86299
_cell_length_c 7.91033
_cell_angle_alpha 98.35260
_cell_angle_beta 87.18228
_cell_angle_gamma 93.58717
_cell_volume 394.13242
_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 0.77193 0.30957 0.18691 1.00000
Cs2 Cs 0.22807 0.69043 0.81309 1.00000
Si1 Si 0.99954 0.85870 0.36074 1.00000
Si2 Si 0.00046 0.14130 0.63926 1.00000
Au1 Au 0.50178 0.26015 0.75735 1.00000
Au2 Au 0.49822 0.73985 0.24265 1.00000
S1 S 0.17997 0.63814 0.35041 1.00000
S2 S 0.81790 0.84392 0.13938 1.00000
S3 S 0.81583 0.89777 0.60078 1.00000
S4 S 0.82003 0.36186 0.64959 1.00000
S5 S 0.18417 0.10223 0.39922 1.00000
S6 S 0.18210 0.15608 0.86062 1.00000
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