Zn3Si2
Alexandria ALEXAlex-ID: agm005507545 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_127_spg43
Si Zn
2023-03-20 13:12:11.861233
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507545).
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 agm005507545
data_agm005507545
_cell_length_a 11.46938
_cell_length_b 10.59701
_cell_length_c 4.94608
_cell_angle_alpha 87.14917
_cell_angle_beta 67.33828
_cell_angle_gamma 25.51255
_cell_volume 158.11171
_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 0.29910 0.49830 0.70173 1.00000
Zn2 Zn 0.50088 0.70173 0.49830 1.00000
Zn3 Zn 0.75170 0.95090 0.74912 1.00000
Zn4 Zn 0.54827 0.74912 0.95090 1.00000
Zn5 Zn 0.90052 0.09948 0.09948 1.00000
Zn6 Zn 0.15052 0.34948 0.34948 1.00000
Si1 Si 0.35294 0.55305 0.14744 1.00000
Si2 Si 0.94656 0.14744 0.55305 1.00000
Si3 Si 0.69695 0.89706 0.30344 1.00000
Si4 Si 0.10256 0.30344 0.89706 1.00000
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