Nb3Ir2Rh
Alexandria ALEXAlex-ID: agm017343434 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_936_spg15
NbIr Nb2Ir NbRh3
2024-12-19 08:41:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017343434).
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 agm017343434
data_agm017343434
_cell_length_a 7.52841
_cell_length_b 7.52841
_cell_length_c 7.78676
_cell_angle_alpha 58.84023
_cell_angle_beta 121.15977
_cell_angle_gamma 148.65298
_cell_volume 193.61733
_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
Nb1 Nb 0.16605 0.83395 0.66656 1.00000
Nb2 Nb 0.83374 0.16626 0.83421 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
Nb4 Nb 0.83395 0.16605 0.33344 1.00000
Nb5 Nb 0.50000 0.50000 0.50000 1.00000
Nb6 Nb 0.16626 0.83374 0.16579 1.00000
Ir1 Ir 0.66682 0.33318 0.91688 1.00000
Ir2 Ir 0.00035 0.99965 0.25024 1.00000
Ir3 Ir 0.33318 0.66682 0.08312 1.00000
Ir4 Ir 0.99965 0.00035 0.74976 1.00000
Rh1 Rh 0.33293 0.66707 0.58295 1.00000
Rh2 Rh 0.66707 0.33293 0.41705 1.00000
获取直接链接