Zn3Ga3N5
Alexandria ALEXAlex-ID: agm005276392 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_57_spg2
GaN Zn3N2
2023-05-09 03:01:42.086521
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276392).
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 agm005276392
data_agm005276392
_cell_length_a 5.87283
_cell_length_b 6.60329
_cell_length_c 8.44790
_cell_angle_alpha 107.68565
_cell_angle_beta 107.44689
_cell_angle_gamma 98.92522
_cell_volume 286.63187
_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
Zn1 Zn 0.70494 0.44219 0.59646 1.00000
Zn2 Zn 0.29506 0.55781 0.40354 1.00000
Zn3 Zn 0.62404 0.71505 0.96146 1.00000
Zn4 Zn 0.37596 0.28495 0.03854 1.00000
Zn5 Zn 0.82358 0.61512 0.28178 1.00000
Zn6 Zn 0.17642 0.38488 0.71822 1.00000
Ga1 Ga 0.89021 0.29574 0.96631 1.00000
Ga2 Ga 0.10979 0.70426 0.03369 1.00000
Ga3 Ga 0.71565 0.95618 0.58678 1.00000
Ga4 Ga 0.28435 0.04382 0.41322 1.00000
Ga5 Ga 0.16270 0.85384 0.70659 1.00000
Ga6 Ga 0.83730 0.14616 0.29341 1.00000
N1 N 0.04757 0.13280 0.79900 1.00000
N2 N 0.95243 0.86720 0.20100 1.00000
N3 N 0.82045 0.68799 0.52422 1.00000
N4 N 0.17955 0.31201 0.47578 1.00000
N5 N 0.77639 0.49708 0.85047 1.00000
N6 N 0.22361 0.50292 0.14953 1.00000
N7 N 0.36968 0.88124 0.57230 1.00000
N8 N 0.63032 0.11876 0.42770 1.00000
N9 N 0.28561 0.72343 0.87905 1.00000
N10 N 0.71439 0.27657 0.12095 1.00000
