Sr2SbS3
Alexandria ALEXAlex-ID: agm003418360 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_425_spg71
Sr3Sb4S9 Sb SrS
2022-02-15 00:02:06.760602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418360).
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 agm003418360
data_agm003418360
_cell_length_a 6.17232
_cell_length_b 8.49949
_cell_length_c 7.22602
_cell_angle_alpha 107.08605
_cell_angle_beta 115.28301
_cell_angle_gamma 90.00000
_cell_volume 324.17543
_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
Sr1 Sr 0.66426 0.58209 0.32877 1.00000
Sr2 Sr 0.66451 0.08209 0.32877 1.00000
Sr3 Sr 0.33549 0.91791 0.67123 1.00000
Sr4 Sr 0.33574 0.41791 0.67123 1.00000
Sb1 Sb 0.00040 0.75000 0.00000 1.00000
Sb2 Sb 0.99960 0.25000 1.00000 1.00000
S1 S 0.49913 0.25000 0.00000 1.00000
S2 S 0.50087 0.75000 1.00000 1.00000
S3 S 0.15749 0.07890 0.31480 1.00000
S4 S 0.84269 0.42110 0.68520 1.00000
S5 S 0.15731 0.57890 0.31480 1.00000
S6 S 0.84251 0.92110 0.68520 1.00000
获取直接链接