Ir2Ru5Rh4
Alexandria ALEXAlex-ID: agm005652660 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_1025_spg69
Rh IrRu3 IrRh6
2023-06-22 11:50:56.828413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652660).
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
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# CIF generated by HEAS from Alexandria entry agm005652660
data_agm005652660
_cell_length_a 5.01529
_cell_length_b 4.69258
_cell_length_c 9.40170
_cell_angle_alpha 81.80559
_cell_angle_beta 74.53068
_cell_angle_gamma 57.69779
_cell_volume 180.24759
_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
Ir1 Ir 0.82266 0.00000 0.35468 1.00000
Ir2 Ir 0.17734 1.00000 0.64532 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.50000 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.00000 1.00000
Ru4 Ru 0.25000 0.50000 0.50000 1.00000
Ru5 Ru 0.75000 0.50000 0.50000 1.00000
Rh1 Rh 0.79771 0.66178 0.74279 1.00000
Rh2 Rh 0.20229 0.33822 0.25721 1.00000
Rh3 Rh 0.54051 0.66178 0.25721 1.00000
Rh4 Rh 0.45949 0.33822 0.74279 1.00000
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