Sr2Zn3Sb
Alexandria ALEXAlex-ID: agm017603086 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2216_spg69
SrZn11 Sr16Sb11 SrZn5
2025-04-14 15:02:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017603086).
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 agm017603086
data_agm017603086
_cell_length_a 9.33907
_cell_length_b 9.10470
_cell_length_c 6.30009
_cell_angle_alpha 72.04320
_cell_angle_beta 68.03552
_cell_angle_gamma 39.92128
_cell_volume 318.61342
_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 0.25000 0.25000 0.25000 1.00000
Sr2 Sr 0.24567 0.75433 0.75433 1.00000
Sr3 Sr 0.75000 0.75000 0.75000 1.00000
Sr4 Sr 0.75433 0.24567 0.24567 1.00000
Zn1 Zn 0.83669 0.32124 0.67876 1.00000
Zn2 Zn 0.67876 0.16331 0.83669 1.00000
Zn3 Zn 0.16331 0.67876 0.32124 1.00000
Zn4 Zn 0.32124 0.83669 0.16331 1.00000
Zn5 Zn 0.15958 0.15958 0.84042 1.00000
Zn6 Zn 0.84042 0.84042 0.15958 1.00000
Sb1 Sb 0.66694 0.66694 0.33306 1.00000
Sb2 Sb 0.33306 0.33306 0.66694 1.00000
获取直接链接