K4U3GaN8
Alexandria ALEXAlex-ID: agm004735005 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_20_spg12
KN3 UN2 K GaN
2022-07-08 07:39:34.813911
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004735005).
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 agm004735005
data_agm004735005
_cell_length_a 6.75460
_cell_length_b 7.49098
_cell_length_c 7.00956
_cell_angle_alpha 117.17222
_cell_angle_beta 118.80392
_cell_angle_gamma 90.00000
_cell_volume 265.25003
_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
K1 K 0.50000 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.00000 0.00000 0.50000 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.50000 0.50000 0.50000 1.00000
U3 U 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.50000 0.00000 1.00000
N1 N 0.21471 0.65743 0.93305 1.00000
N2 N 0.24915 0.67808 0.49830 1.00000
N3 N 0.28233 0.33863 0.56466 1.00000
N4 N 0.71834 0.65743 0.93305 1.00000
N5 N 0.28166 0.34257 0.06695 1.00000
N6 N 0.71767 0.66137 0.43534 1.00000
N7 N 0.75085 0.32192 0.50170 1.00000
N8 N 0.78529 0.34257 0.06695 1.00000
获取直接链接