KH6IrRu
Alexandria ALEXAlex-ID: agm007663003 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_101_spg1
IrRu3 K2H7Ir H2 IrRu
2024-03-05 15:48:35.570208
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663003).
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 agm007663003
data_agm007663003
_cell_length_a 5.59912
_cell_length_b 5.59912
_cell_length_c 3.15650
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.42818
_cell_volume 83.52581
_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
K1 K 0.01230 0.98770 0.00000 1.00000
H1 H 0.36177 0.02505 0.50000 1.00000
H2 H 0.97495 0.63823 0.50000 1.00000
H3 H 0.39596 0.60404 0.00000 1.00000
H4 H 0.66854 0.96033 0.50000 1.00000
H5 H 0.51932 0.48068 0.50000 1.00000
H6 H 0.03967 0.33146 0.50000 1.00000
Ir1 Ir 0.70314 0.29686 0.50000 1.00000
Ru1 Ru 0.32419 0.67581 0.50000 1.00000
获取直接链接