Ir5(Ru2Rh)2
Alexandria ALEXAlex-ID: agm005674047 · 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_482_spg69
Ir2Rh5 Ir3Rh4 IrRu
2023-06-25 16:37:21.596001
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674047).
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 agm005674047
data_agm005674047
_cell_length_a 9.52585
_cell_length_b 8.69765
_cell_length_c 5.25836
_cell_angle_alpha 82.10920
_cell_angle_beta 64.74425
_cell_angle_gamma 33.14655
_cell_volume 192.96262
_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 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.50000 1.00000
Ir3 Ir 0.50000 0.50000 0.00000 1.00000
Ir4 Ir 0.75000 0.75000 0.75000 1.00000
Ir5 Ir 0.25000 0.25000 0.25000 1.00000
Ru1 Ru 0.23469 0.50207 0.49793 1.00000
Ru2 Ru 0.76531 0.49793 0.50207 1.00000
Ru3 Ru 0.49793 0.76531 0.23469 1.00000
Ru4 Ru 0.50207 0.23469 0.76531 1.00000
Rh1 Rh 0.21586 0.21586 0.78414 1.00000
Rh2 Rh 0.78414 0.78414 0.21586 1.00000
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