Ni2OsRh8
Alexandria ALEXAlex-ID: agm006031270 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_445_spg12
OsRh8 Ni
2023-10-20 07:38:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006031270).
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 agm006031270
data_agm006031270
_cell_length_a 3.96805
_cell_length_b 6.40914
_cell_length_c 6.40915
_cell_angle_alpha 104.84782
_cell_angle_beta 89.99799
_cell_angle_gamma 89.99800
_cell_volume 157.55349
_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
Ni1 Ni 1.00000 0.61367 0.38633 1.00000
Ni2 Ni 0.00000 0.38633 0.61367 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.00003 0.96159 0.70051 1.00000
Rh2 Rh 0.00003 0.70051 0.96159 1.00000
Rh3 Rh 0.50005 0.66474 0.66474 1.00000
Rh4 Rh 0.50000 0.25625 0.74375 1.00000
Rh5 Rh 0.50000 0.74375 0.25625 1.00000
Rh6 Rh 0.49995 0.33526 0.33526 1.00000
Rh7 Rh 0.99997 0.29949 0.03841 1.00000
Rh8 Rh 0.99997 0.03841 0.29949 1.00000
获取直接链接