YZnCo2
Alexandria ALEXAlex-ID: agm003635892 · 空间群: Pmma (#51)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7595_spg51
Y2Co17 YCo3 YZn2
2022-04-14 08:15:06.771207
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003635892).
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 agm003635892
data_agm003635892
_cell_length_a 4.71590
_cell_length_b 5.28924
_cell_length_c 11.64315
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 290.42097
_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 0.00000 0.25000 0.59366 1.00000
Y2 Y 0.50000 0.75000 0.11114 1.00000
Y3 Y 0.00000 0.75000 0.40634 1.00000
Y4 Y 0.50000 0.25000 0.88886 1.00000
Zn1 Zn 0.50000 0.75000 0.67913 1.00000
Zn2 Zn 0.50000 0.25000 0.32087 1.00000
Zn3 Zn 0.00000 0.25000 0.30944 1.00000
Zn4 Zn 0.00000 0.75000 0.69056 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.50000 0.50000 0.50000 1.00000
Co3 Co 0.25918 0.75000 0.87136 1.00000
Co4 Co 0.74082 0.25000 0.12864 1.00000
Co5 Co 0.74082 0.75000 0.87136 1.00000
Co6 Co 0.25918 0.25000 0.12864 1.00000
Co7 Co 0.00000 0.50000 0.00000 1.00000
Co8 Co 0.50000 0.00000 0.50000 1.00000
获取直接链接