Ni4Rh15
Alexandria ALEXAlex-ID: agm073023697 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
Rh Ni
2024-10-20 09:23:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023697).
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 agm073023697
data_agm073023697
_cell_length_a 8.79985
_cell_length_b 8.79985
_cell_length_c 8.79985
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 524.57073
_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 0.59034 0.59034 0.59034 1.00000
Ni2 Ni 0.90966 0.50000 0.00000 1.00000
Ni3 Ni 0.09034 0.09034 0.09034 1.00000
Ni4 Ni 0.00000 0.40966 0.50000 1.00000
Ni5 Ni 0.00000 0.90966 0.50000 1.00000
Ni6 Ni 0.40966 0.50000 0.00000 1.00000
Ni7 Ni 0.50000 0.00000 0.40966 1.00000
Ni8 Ni 0.50000 0.00000 0.90966 1.00000
Rh1 Rh 0.87262 0.93125 0.72801 1.00000
Rh2 Rh 0.25000 0.12500 0.87500 1.00000
Rh3 Rh 0.56875 0.44137 0.79676 1.00000
Rh4 Rh 0.44137 0.79676 0.56875 1.00000
Rh5 Rh 0.14461 0.77199 0.70324 1.00000
Rh6 Rh 0.55863 0.85539 0.12738 1.00000
Rh7 Rh 0.62738 0.35539 0.05863 1.00000
Rh8 Rh 0.29676 0.94137 0.06875 1.00000
Rh9 Rh 0.85539 0.12738 0.55863 1.00000
Rh10 Rh 0.35539 0.05863 0.62738 1.00000
Rh11 Rh 0.72801 0.87262 0.93125 1.00000
Rh12 Rh 0.37262 0.22801 0.43125 1.00000
Rh13 Rh 0.12500 0.87500 0.25000 1.00000
Rh14 Rh 0.93125 0.72801 0.87262 1.00000
Rh15 Rh 0.37500 0.62500 0.75000 1.00000
Rh16 Rh 0.20324 0.27199 0.64461 1.00000
Rh17 Rh 0.27199 0.64461 0.20324 1.00000
Rh18 Rh 0.64461 0.20324 0.27199 1.00000
Rh19 Rh 0.43125 0.37262 0.22801 1.00000
Rh20 Rh 0.87500 0.25000 0.12500 1.00000
Rh21 Rh 0.77199 0.70324 0.14461 1.00000
Rh22 Rh 0.70324 0.14461 0.77199 1.00000
Rh23 Rh 0.06875 0.29676 0.94137 1.00000
Rh24 Rh 0.05863 0.62738 0.35539 1.00000
Rh25 Rh 0.22801 0.43125 0.37262 1.00000
Rh26 Rh 0.79676 0.56875 0.44137 1.00000
Rh27 Rh 0.12738 0.55863 0.85539 1.00000
Rh28 Rh 0.75000 0.37500 0.62500 1.00000
Rh29 Rh 0.94137 0.06875 0.29676 1.00000
Rh30 Rh 0.62500 0.75000 0.37500 1.00000
