NpU3N6
Alexandria ALEXAlex-ID: agm003573170 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_17_spg148
Np5UN6 Np2UN3 U4N7
2022-03-30 08:10:08.938783
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003573170).
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 agm003573170
data_agm003573170
_cell_length_a 6.74647
_cell_length_b 6.74647
_cell_length_c 6.74647
_cell_angle_alpha 91.71010
_cell_angle_beta 91.71010
_cell_angle_gamma 91.71010
_cell_volume 306.64553
_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
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.50000 0.50000 0.50000 1.00000
U1 U 0.44609 0.93771 0.74805 1.00000
U2 U 0.93771 0.74805 0.44609 1.00000
U3 U 0.25195 0.55391 0.06229 1.00000
U4 U 0.74805 0.44609 0.93771 1.00000
U5 U 0.06229 0.25195 0.55391 1.00000
U6 U 0.55391 0.06229 0.25195 1.00000
N1 N 0.31832 0.90766 0.05704 1.00000
N2 N 0.09234 0.94296 0.68168 1.00000
N3 N 0.60238 0.81964 0.47135 1.00000
N4 N 0.94296 0.68168 0.09234 1.00000
N5 N 0.47135 0.60238 0.81964 1.00000
N6 N 0.18036 0.52865 0.39762 1.00000
N7 N 0.81964 0.47135 0.60238 1.00000
N8 N 0.52865 0.39762 0.18036 1.00000
N9 N 0.05704 0.31832 0.90766 1.00000
N10 N 0.39762 0.18036 0.52865 1.00000
N11 N 0.90766 0.05704 0.31832 1.00000
N12 N 0.68168 0.09234 0.94296 1.00000
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