U(Ni3As)2
Alexandria ALEXAlex-ID: agm005657491 · 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
AB2C6_678_spg71
U(Ni2As)2 Ni8As3 UNi5
2023-07-08 22:58:24.076751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657491).
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 agm005657491
data_agm005657491
_cell_length_a 3.70896
_cell_length_b 6.13409
_cell_length_c 6.13410
_cell_angle_alpha 82.09089
_cell_angle_beta 72.36715
_cell_angle_gamma 72.36716
_cell_volume 126.59047
_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 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.21791 0.12099 0.44314 1.00000
Ni2 Ni 0.78209 0.87901 0.55686 1.00000
Ni3 Ni 0.78209 0.55686 0.87901 1.00000
Ni4 Ni 0.50000 0.75056 0.24944 1.00000
Ni5 Ni 0.50000 0.24944 0.75056 1.00000
Ni6 Ni 0.21791 0.44314 0.12099 1.00000
As1 As 0.34326 0.65688 0.65688 1.00000
As2 As 0.65674 0.34312 0.34312 1.00000
获取直接链接