Ni4Ir4Rh3
Alexandria ALEXAlex-ID: agm005709293 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
IrRh6 Ni NiIr
2023-07-02 01:35:48.708712
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709293).
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 agm005709293
data_agm005709293
_cell_length_a 2.70956
_cell_length_b 3.69557
_cell_length_c 14.70940
_cell_angle_alpha 97.21633
_cell_angle_beta 95.28795
_cell_angle_gamma 90.00767
_cell_volume 145.49183
_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 0.54581 0.54541 0.09135 1.00000
Ni2 Ni 0.45417 0.45460 0.90863 1.00000
Ni3 Ni 0.81744 0.81731 0.63505 1.00000
Ni4 Ni 0.18252 0.18273 0.36497 1.00000
Ir1 Ir 0.08973 0.08903 0.17873 1.00000
Ir2 Ir 0.27311 0.27314 0.54619 1.00000
Ir3 Ir 0.72684 0.72689 0.45382 1.00000
Ir4 Ir 0.91025 0.91100 0.82127 1.00000
Rh1 Rh 0.63638 0.63600 0.27226 1.00000
Rh2 Rh 0.36360 0.36402 0.72774 1.00000
Rh3 Rh 1.00000 0.00001 0.99999 1.00000
获取直接链接