Co2Ni3
Alexandria ALEXAlex-ID: agm003205035 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_588_spg43
CoNi3 Co3Ni
2021-12-03 18:37:48.171556
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003205035).
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 agm003205035
data_agm003205035
_cell_length_a 4.72463
_cell_length_b 4.72463
_cell_length_c 6.42728
_cell_angle_alpha 80.99574
_cell_angle_beta 80.99574
_cell_angle_gamma 125.04224
_cell_volume 110.50018
_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
Co1 Co 0.64353 0.18508 0.90481 1.00000
Co2 Co 0.08989 0.54834 0.09519 1.00000
Co3 Co 0.29834 0.33989 0.59519 1.00000
Co4 Co 0.93508 0.89353 0.40481 1.00000
Ni1 Ni 0.66216 0.72719 0.79894 1.00000
Ni2 Ni 0.52614 0.46110 0.20106 1.00000
Ni3 Ni 0.21110 0.77614 0.70106 1.00000
Ni4 Ni 0.47719 0.91216 0.29894 1.00000
Ni5 Ni 0.07828 0.07828 1.00000 1.00000
Ni6 Ni 0.82828 0.32828 0.50000 1.00000
获取直接链接