Ir2Os5Ru4
Alexandria ALEXAlex-ID: agm005661952 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_292_spg12
Os5Ru IrOs5 IrRu3
2023-06-25 16:09:40.929659
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661952).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005661952
data_agm005661952
_cell_length_a 9.39468
_cell_length_b 9.39468
_cell_length_c 6.49849
_cell_angle_alpha 83.49720
_cell_angle_beta 83.49720
_cell_angle_gamma 16.71819
_cell_volume 163.90761
_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 0.90954 0.90954 0.76174 1.00000
Ir2 Ir 0.09046 0.09046 0.23826 1.00000
Os1 Os 0.14641 0.14641 0.86594 1.00000
Os2 Os 0.85359 0.85359 0.13406 1.00000
Os3 Os 0.23726 0.23726 0.17496 1.00000
Os4 Os 0.50000 0.50000 0.00000 1.00000
Os5 Os 0.76274 0.76274 0.82504 1.00000
Ru1 Ru 0.66831 0.66831 0.51396 1.00000
Ru2 Ru 0.04509 0.04509 0.63817 1.00000
Ru3 Ru 0.33169 0.33169 0.48604 1.00000
Ru4 Ru 0.95491 0.95491 0.36183 1.00000
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