V(MoN2)2
Alexandria ALEXAlex-ID: agm042988134 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_20_spg63
MoN2 Mo15N16 VN
2024-08-08 02:04:53.132504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042988134).
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 agm042988134
data_agm042988134
_cell_length_a 5.23278
_cell_length_b 5.23278
_cell_length_c 9.97811
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 149.22084
_cell_volume 139.81501
_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
V1 V 0.84961 0.15039 0.25000 1.00000
V2 V 0.15039 0.84961 0.75000 1.00000
Mo1 Mo 0.37755 0.62245 0.90688 1.00000
Mo2 Mo 0.62245 0.37755 0.40688 1.00000
Mo3 Mo 0.37755 0.62245 0.59312 1.00000
Mo4 Mo 0.62245 0.37755 0.09312 1.00000
N1 N 0.72181 0.27819 0.61729 1.00000
N2 N 0.72181 0.27819 0.88271 1.00000
N3 N 0.27819 0.72181 0.38271 1.00000
N4 N 0.27819 0.72181 0.11729 1.00000
N5 N 0.49785 0.50215 0.25000 1.00000
N6 N 0.50215 0.49785 0.75000 1.00000
N7 N 0.00000 0.00000 0.50000 1.00000
N8 N 0.00000 0.00000 0.00000 1.00000
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