ZnS5
Alexandria ALEXAlex-ID: agm005545971 · 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
AB5_731_spg2
ZnS18 ZnS
2023-05-29 09:35:53.465488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545971).
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 agm005545971
data_agm005545971
_cell_length_a 8.51014
_cell_length_b 4.08224
_cell_length_c 15.93974
_cell_angle_alpha 72.21965
_cell_angle_beta 134.01700
_cell_angle_gamma 123.65615
_cell_volume 328.51811
_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
Zn1 Zn 0.65696 0.57615 0.25624 1.00000
Zn2 Zn 0.34304 0.42385 0.74376 1.00000
S1 S 0.76038 0.27358 0.20657 1.00000
S2 S 0.23962 0.72642 0.79343 1.00000
S3 S 0.71597 0.81401 0.78419 1.00000
S4 S 0.12274 0.41971 0.36712 1.00000
S5 S 0.28403 0.18599 0.21581 1.00000
S6 S 0.87726 0.58029 0.63288 1.00000
S7 S 0.91272 0.15557 0.93040 1.00000
S8 S 0.06911 0.95007 0.45389 1.00000
S9 S 0.08728 0.84443 0.06960 1.00000
S10 S 0.93089 0.04993 0.54611 1.00000
获取直接链接