VSiN2
Alexandria ALEXAlex-ID: agm005253663 · 空间群: Pna2_1 (#33)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_123_spg33
V5Si3N Si3N4 VN
2023-05-07 07:48:31.311404
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253663).
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 agm005253663
data_agm005253663
_cell_length_a 4.96491
_cell_length_b 5.22455
_cell_length_c 6.32307
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 164.01685
_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 0.57528 0.03051 0.84325 1.00000
V2 V 0.42472 0.53051 0.15675 1.00000
V3 V 0.92472 0.53051 0.34325 1.00000
V4 V 0.07528 0.03051 0.65675 1.00000
Si1 Si 0.59414 0.99306 0.38127 1.00000
Si2 Si 0.40586 0.49306 0.61873 1.00000
Si3 Si 0.90586 0.49306 0.88127 1.00000
Si4 Si 0.09414 0.99306 0.11873 1.00000
N1 N 0.55760 0.32911 0.40759 1.00000
N2 N 0.44240 0.82911 0.59241 1.00000
N3 N 0.94240 0.82911 0.90759 1.00000
N4 N 0.05760 0.32911 0.09241 1.00000
N5 N 0.56389 0.41731 0.85967 1.00000
N6 N 0.43611 0.91731 0.14033 1.00000
N7 N 0.93611 0.91731 0.35967 1.00000
N8 N 0.06389 0.41731 0.64033 1.00000
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