Y2Zn12Cu3Pd
Alexandria ALEXAlex-ID: agm004498505 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D12_97_spg166
YZn3Cu2 YZn9Cu2 YZn3Pd2
2022-06-21 13:35:07.578377
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004498505).
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 agm004498505
data_agm004498505
_cell_length_a 11.66803
_cell_length_b 11.66803
_cell_length_c 11.66803
_cell_angle_alpha 28.43003
_cell_angle_beta 28.43003
_cell_angle_gamma 28.43003
_cell_volume 318.20232
_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
Y1 Y 0.63963 0.63963 0.63963 1.00000
Y2 Y 0.36037 0.36037 0.36037 1.00000
Zn1 Zn 0.40126 0.40126 0.85449 1.00000
Zn2 Zn 0.88503 0.88503 0.39988 1.00000
Zn3 Zn 0.39988 0.88503 0.88503 1.00000
Zn4 Zn 0.85449 0.40126 0.40126 1.00000
Zn5 Zn 0.88503 0.39988 0.88503 1.00000
Zn6 Zn 0.40126 0.85449 0.40126 1.00000
Zn7 Zn 0.59874 0.59874 0.14551 1.00000
Zn8 Zn 0.11497 0.11497 0.60012 1.00000
Zn9 Zn 0.60012 0.11497 0.11497 1.00000
Zn10 Zn 0.14551 0.59874 0.59874 1.00000
Zn11 Zn 0.11497 0.60012 0.11497 1.00000
Zn12 Zn 0.59874 0.14551 0.59874 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Cu2 Cu 0.00000 0.50000 0.00000 1.00000
Cu3 Cu 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
获取直接链接