SiS6
Alexandria ALEXAlex-ID: agm079015369 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_469_spg1
SiS8 SiS2
2025-01-13 00:22:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079015369).
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 agm079015369
data_agm079015369
_cell_length_a 8.60543
_cell_length_b 7.43148
_cell_length_c 7.56905
_cell_angle_alpha 106.49350
_cell_angle_beta 102.61466
_cell_angle_gamma 107.71566
_cell_volume 416.78101
_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
Si1 Si 0.00274 0.96774 0.94731 1.00000
Si2 Si 0.49434 0.76053 0.28896 1.00000
S1 S 0.23207 0.04579 0.85843 1.00000
S2 S 0.86500 0.12507 0.80599 1.00000
S3 S 0.79493 0.66442 0.83477 1.00000
S4 S 0.11185 0.01915 0.25742 1.00000
S5 S 0.75174 0.77269 0.28710 1.00000
S6 S 0.46495 0.73684 0.55841 1.00000
S7 S 0.24704 0.51563 0.10062 1.00000
S8 S 0.52454 0.04619 0.25395 1.00000
S9 S 0.37486 0.18823 0.36970 1.00000
S10 S 0.24583 0.32371 0.83921 1.00000
S11 S 0.60863 0.01958 0.78569 1.00000
S12 S 0.78148 0.56444 0.06244 1.00000
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