Ga2Ge3N4
Alexandria ALEXAlex-ID: agm005239887 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_161_spg15
Ge3N4 Ge GaN
2023-05-07 15:24:55.944785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239887).
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 agm005239887
data_agm005239887
_cell_length_a 6.25767
_cell_length_b 6.25767
_cell_length_c 6.74178
_cell_angle_alpha 82.52348
_cell_angle_beta 82.52348
_cell_angle_gamma 80.25393
_cell_volume 256.39201
_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
Ga1 Ga 0.80785 0.66542 0.53634 1.00000
Ga2 Ga 0.33458 0.19215 0.96366 1.00000
Ga3 Ga 0.19215 0.33458 0.46366 1.00000
Ga4 Ga 0.66542 0.80785 0.03634 1.00000
Ge1 Ge 0.11805 0.68867 0.11133 1.00000
Ge2 Ge 0.31133 0.88195 0.38867 1.00000
Ge3 Ge 0.88195 0.31133 0.88867 1.00000
Ge4 Ge 0.68867 0.11805 0.61133 1.00000
Ge5 Ge 0.38738 0.61262 0.75000 1.00000
Ge6 Ge 0.61262 0.38738 0.25000 1.00000
N1 N 0.09848 0.68237 0.41187 1.00000
N2 N 0.31763 0.90152 0.08813 1.00000
N3 N 0.90152 0.31763 0.58813 1.00000
N4 N 0.68237 0.09848 0.91187 1.00000
N5 N 0.68051 0.59982 0.83376 1.00000
N6 N 0.40018 0.31949 0.66624 1.00000
N7 N 0.31949 0.40018 0.16624 1.00000
N8 N 0.59982 0.68051 0.33376 1.00000
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