UWN2
Alexandria ALEXAlex-ID: agm005803017 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2881_spg62
WN U4N7 W
2023-07-13 03:44:21.315939
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803017).
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 agm005803017
data_agm005803017
_cell_length_a 3.17339
_cell_length_b 5.61999
_cell_length_c 10.98888
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00000
_cell_volume 195.98041
_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 0.75000 0.07362 0.14498 1.00000
U2 U 0.25000 0.92638 0.85502 1.00000
U3 U 0.75000 0.57362 0.35502 1.00000
U4 U 0.25000 0.42638 0.64498 1.00000
W1 W 0.25000 0.56728 0.10131 1.00000
W2 W 0.25000 0.06728 0.39869 1.00000
W3 W 0.75000 0.43272 0.89869 1.00000
W4 W 0.75000 0.93272 0.60131 1.00000
N1 N 0.75000 0.25657 0.49569 1.00000
N2 N 0.25000 0.74343 0.50431 1.00000
N3 N 0.75000 0.75657 0.00431 1.00000
N4 N 0.25000 0.24343 0.99569 1.00000
N5 N 0.75000 0.17076 0.75353 1.00000
N6 N 0.25000 0.32924 0.25353 1.00000
N7 N 0.75000 0.67076 0.74647 1.00000
N8 N 0.25000 0.82924 0.24647 1.00000
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