CoNiRh2
Alexandria ALEXAlex-ID: agm002818619 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_185_spg122
Co3Ni CoNi3 Rh
2016-12-20 05:54:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002818619).
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 agm002818619
data_agm002818619
_cell_length_a 6.50894
_cell_length_b 6.50894
_cell_length_c 5.30829
_cell_angle_alpha 52.18660
_cell_angle_beta 52.18660
_cell_angle_gamma 90.00000
_cell_volume 112.04894
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.61437 0.12500 0.25000 1.00000
Rh2 Rh 0.13563 0.62500 0.25000 1.00000
Rh3 Rh 0.37500 0.38563 0.75000 1.00000
Rh4 Rh 0.87500 0.86437 0.75000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
