GaMoN3
Alexandria ALEXAlex-ID: agm005239990 · 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
ABC3_4816_spg2
MoN2 GaN
2023-05-08 06:19:23.211277
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239990).
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 agm005239990
data_agm005239990
_cell_length_a 5.88629
_cell_length_b 7.44402
_cell_length_c 7.97351
_cell_angle_alpha 92.51172
_cell_angle_beta 95.12973
_cell_angle_gamma 96.94416
_cell_volume 344.90079
_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 0.30859 0.67917 0.78275 1.00000
Ga2 Ga 0.69141 0.32083 0.21725 1.00000
Ga3 Ga 0.88216 0.64043 0.94176 1.00000
Ga4 Ga 0.11784 0.35957 0.05824 1.00000
Mo1 Mo 0.83652 0.91018 0.73163 1.00000
Mo2 Mo 0.16348 0.08982 0.26837 1.00000
Mo3 Mo 0.00474 0.66880 0.39200 1.00000
Mo4 Mo 0.99526 0.33120 0.60800 1.00000
N1 N 0.62280 0.74331 0.83653 1.00000
N2 N 0.37720 0.25669 0.16347 1.00000
N3 N 0.83711 0.81512 0.50983 1.00000
N4 N 0.16289 0.18488 0.49017 1.00000
N5 N 0.09957 0.85300 0.84659 1.00000
N6 N 0.90043 0.14700 0.15341 1.00000
N7 N 0.89849 0.52968 0.15169 1.00000
N8 N 0.10151 0.47032 0.84831 1.00000
N9 N 0.18686 0.84310 0.27658 1.00000
N10 N 0.81314 0.15690 0.72342 1.00000
N11 N 0.79344 0.41034 0.44798 1.00000
N12 N 0.20655 0.58966 0.55202 1.00000
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