BaNp2W2N7
Alexandria ALEXAlex-ID: agm004589084 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_10_spg44
Np7N12 Ba3Np(WN4)2 W2N3 WN
2022-06-26 00:47:12.690107
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589084).
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 agm004589084
data_agm004589084
_cell_length_a 4.27748
_cell_length_b 5.16130
_cell_length_c 9.07590
_cell_angle_alpha 106.51946
_cell_angle_beta 103.62996
_cell_angle_gamma 90.00000
_cell_volume 186.20791
_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
Ba1 Ba 0.00000 0.08693 0.00000 1.00000
Np1 Np 0.25045 0.75135 0.50090 1.00000
Np2 Np 0.74955 0.25045 0.49910 1.00000
W1 W 0.39073 0.45974 0.78147 1.00000
W2 W 0.60927 0.67827 0.21853 1.00000
N1 N 0.38842 0.80689 0.77683 1.00000
N2 N 0.73109 0.71666 0.46218 1.00000
N3 N 0.12218 0.62386 0.24436 1.00000
N4 N 0.61158 0.03005 0.22317 1.00000
N5 N 0.26891 0.25449 0.53782 1.00000
N6 N 0.87782 0.37951 0.75564 1.00000
N7 N 0.50000 0.46147 1.00000 1.00000
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