VS2Br2N3
Alexandria ALEXAlex-ID: agm005286919 · 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
AB2C2D3_50_spg2
V10S40Br3 SN V(Br2N)2 VN
2023-05-07 09:51:30.832135
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286919).
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 agm005286919
data_agm005286919
_cell_length_a 6.04040
_cell_length_b 8.03092
_cell_length_c 8.38794
_cell_angle_alpha 86.42026
_cell_angle_beta 99.96341
_cell_angle_gamma 106.50962
_cell_volume 384.20153
_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 0.23842 0.99635 0.13280 1.00000
V2 V 0.76158 0.00365 0.86720 1.00000
S1 S 0.79099 0.70978 0.19686 1.00000
S2 S 0.77532 0.27917 0.59052 1.00000
S3 S 0.22468 0.72083 0.40948 1.00000
S4 S 0.20901 0.29022 0.80314 1.00000
Br1 Br 0.25131 0.25586 0.27116 1.00000
Br2 Br 0.65709 0.19170 0.06644 1.00000
Br3 Br 0.34291 0.80830 0.93356 1.00000
Br4 Br 0.74869 0.74414 0.72884 1.00000
N1 N 0.33324 0.88162 0.30032 1.00000
N2 N 0.66676 0.11838 0.69968 1.00000
N3 N 0.06983 0.12547 0.89753 1.00000
N4 N 0.94938 0.64457 0.34452 1.00000
N5 N 0.05062 0.35543 0.65548 1.00000
N6 N 0.93017 0.87453 0.10247 1.00000
获取直接链接