Ir6Os2Rh5
Alexandria ALEXAlex-ID: agm005656595 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_90_spg55
Ir4Rh3 IrOs5 Ir3Rh4
2023-06-20 19:57:25.505285
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656595).
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 agm005656595
data_agm005656595
_cell_length_a 2.72204
_cell_length_b 8.78065
_cell_length_c 16.21600
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 387.58385
_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 0.00000 0.13881 0.38692 1.00000
Ir2 Ir 0.00000 0.86119 0.61308 1.00000
Ir3 Ir 0.00000 0.63881 0.11308 1.00000
Ir4 Ir 0.00000 0.36119 0.88692 1.00000
Ir5 Ir 0.50000 0.38567 0.15450 1.00000
Ir6 Ir 0.50000 0.61433 0.84550 1.00000
Ir7 Ir 0.50000 0.88567 0.34550 1.00000
Ir8 Ir 0.50000 0.11433 0.65450 1.00000
Ir9 Ir 0.00000 0.63710 0.40176 1.00000
Ir10 Ir 0.00000 0.36290 0.59824 1.00000
Ir11 Ir 0.00000 0.13710 0.09824 1.00000
Ir12 Ir 0.00000 0.86290 0.90176 1.00000
Os1 Os 0.00000 0.39128 0.30181 1.00000
Os2 Os 0.00000 0.60872 0.69819 1.00000
Os3 Os 0.00000 0.89128 0.19819 1.00000
Os4 Os 0.00000 0.10872 0.80181 1.00000
Rh1 Rh 0.50000 0.37775 0.45067 1.00000
Rh2 Rh 0.50000 0.62225 0.54933 1.00000
Rh3 Rh 0.50000 0.87775 0.04933 1.00000
Rh4 Rh 0.50000 0.12225 0.95067 1.00000
Rh5 Rh 0.50000 0.63998 0.25563 1.00000
Rh6 Rh 0.50000 0.36002 0.74437 1.00000
Rh7 Rh 0.50000 0.13998 0.24437 1.00000
Rh8 Rh 0.50000 0.86002 0.75563 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
