BW4N9
Alexandria ALEXAlex-ID: agm005242869 · 空间群: P6_3 (#173)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C9_28_spg173
W2N3 N2 BN
2023-05-11 03:04:15.631043
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242869).
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 agm005242869
data_agm005242869
_cell_length_a 8.56887
_cell_length_b 8.56887
_cell_length_c 4.85291
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 308.58859
_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
B1 B 0.00000 0.00000 0.48175 1.00000
B2 B 0.00000 0.00000 0.98175 1.00000
W1 W 0.31816 0.35357 0.67171 1.00000
W2 W 0.03541 0.68184 0.67171 1.00000
W3 W 0.64643 0.96459 0.67171 1.00000
W4 W 0.68184 0.64643 0.17171 1.00000
W5 W 0.96459 0.31816 0.17171 1.00000
W6 W 0.35357 0.03541 0.17171 1.00000
W7 W 0.66667 0.33333 0.66730 1.00000
W8 W 0.33333 0.66667 0.16730 1.00000
N1 N 0.10471 0.19934 0.48216 1.00000
N2 N 0.09463 0.89529 0.48216 1.00000
N3 N 0.80066 0.90537 0.48216 1.00000
N4 N 0.89529 0.80066 0.98216 1.00000
N5 N 0.90537 0.10471 0.98216 1.00000
N6 N 0.19934 0.09463 0.98216 1.00000
N7 N 0.78001 0.21810 0.47954 1.00000
N8 N 0.43810 0.21999 0.47954 1.00000
N9 N 0.78190 0.56190 0.47954 1.00000
N10 N 0.21999 0.78190 0.97954 1.00000
N11 N 0.56190 0.78001 0.97954 1.00000
N12 N 0.21810 0.43810 0.97954 1.00000
N13 N 0.54681 0.10804 0.93501 1.00000
N14 N 0.56124 0.45319 0.93501 1.00000
N15 N 0.89196 0.43876 0.93501 1.00000
N16 N 0.45319 0.89196 0.43501 1.00000
N17 N 0.43876 0.54681 0.43501 1.00000
N18 N 0.10804 0.56124 0.43501 1.00000
