U12IrRu5
Alexandria ALEXAlex-ID: agm068280533 · 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
AB5C12_89_spg71
U4Ru U2Ru UIr
2024-09-13 13:00:17.440629
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068280533).
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 agm068280533
data_agm068280533
_cell_length_a 8.62006
_cell_length_b 8.62006
_cell_length_c 5.55530
_cell_angle_alpha 71.21092
_cell_angle_beta 71.21092
_cell_angle_gamma 110.51560
_cell_volume 318.94059
_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
U1 U 0.33445 0.33445 0.91474 1.00000
U2 U 0.66555 0.66555 0.08526 1.00000
U3 U 0.66552 0.66552 0.58309 1.00000
U4 U 0.33448 0.33448 0.41691 1.00000
U5 U 0.99989 0.33415 0.58327 1.00000
U6 U 0.66585 0.00011 0.41673 1.00000
U7 U 0.33415 0.99989 0.58327 1.00000
U8 U 0.00011 0.66585 0.41673 1.00000
U9 U 0.33428 0.00005 0.08195 1.00000
U10 U 0.00005 0.33428 0.08195 1.00000
U11 U 0.99995 0.66572 0.91805 1.00000
U12 U 0.66572 0.99995 0.91805 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.33380 0.66620 0.00000 1.00000
Ru3 Ru 0.66620 0.33380 0.00000 1.00000
Ru4 Ru 0.33274 0.66726 0.50000 1.00000
Ru5 Ru 0.66726 0.33274 0.50000 1.00000
获取直接链接