ZnSiRu
Alexandria ALEXAlex-ID: agm002024960 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6430_spg9
Zn(SiRu)2 Si3Ru2 Zn13Ru
2021-11-16 07:01:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002024960).
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 agm002024960
data_agm002024960
_cell_length_a 4.75650
_cell_length_b 7.99476
_cell_length_c 4.65164
_cell_angle_alpha 90.00000
_cell_angle_beta 115.46848
_cell_angle_gamma 90.00000
_cell_volume 159.69862
_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
Ru1 Ru 0.75000 0.62139 0.75000 1.00000
Ru2 Ru 0.25000 0.37861 0.25000 1.00000
Ru3 Ru 0.75000 0.12139 0.25000 1.00000
Ru4 Ru 0.25000 0.87861 0.75000 1.00000
Zn1 Zn 0.75000 0.28898 0.75000 1.00000
Zn2 Zn 0.25000 0.71102 0.25000 1.00000
Zn3 Zn 0.75000 0.78898 0.25000 1.00000
Zn4 Zn 0.25000 0.21102 0.75000 1.00000
Si1 Si 0.75000 0.95497 0.75000 1.00000
Si2 Si 0.25000 0.04503 0.25000 1.00000
Si3 Si 0.75000 0.45497 0.25000 1.00000
Si4 Si 0.25000 0.54503 0.75000 1.00000
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