Ir2OsRu2
Alexandria ALEXAlex-ID: agm003386751 · 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
AB2C2_194_spg12
IrOs5 IrRu3 IrRu
2022-02-11 19:56:29.127683
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003386751).
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 agm003386751
data_agm003386751
_cell_length_a 3.90314
_cell_length_b 4.82559
_cell_length_c 4.82559
_cell_angle_alpha 81.75856
_cell_angle_beta 66.14518
_cell_angle_gamma 66.14518
_cell_volume 76.00206
_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 0.79512 0.70488 0.70488 1.00000
Ir2 Ir 0.20488 0.29512 0.29512 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.70089 0.29911 1.00000
Ru2 Ru 0.50000 0.29911 0.70089 1.00000
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