HS3N
Alexandria ALEXAlex-ID: agm006236489 · 空间群: P2/c (#13)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_736_spg13
H8S5N2 SN HS7N
2024-11-05 02:59:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006236489).
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 agm006236489
data_agm006236489
_cell_length_a 13.28604
_cell_length_b 8.67043
_cell_length_c 9.42887
_cell_angle_alpha 58.96442
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 930.67673
_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
H1 H 0.46400 0.71836 0.92863 1.00000
H2 H 0.46400 0.28164 0.57137 1.00000
H3 H 0.53600 0.28164 0.07137 1.00000
H4 H 0.53600 0.71836 0.42863 1.00000
H5 H 0.07735 0.79757 0.62096 1.00000
H6 H 0.07735 0.20243 0.87904 1.00000
H7 H 0.92265 0.20243 0.37904 1.00000
H8 H 0.92265 0.79757 0.12096 1.00000
S1 S 0.40198 0.78968 0.54413 1.00000
S2 S 0.40198 0.21032 0.95587 1.00000
S3 S 0.59802 0.21032 0.45587 1.00000
S4 S 0.59802 0.78968 0.04413 1.00000
S5 S 0.30514 0.57595 0.62066 1.00000
S6 S 0.30514 0.42405 0.87934 1.00000
S7 S 0.69486 0.42405 0.37934 1.00000
S8 S 0.69486 0.57595 0.12066 1.00000
S9 S 0.39670 0.63825 0.18766 1.00000
S10 S 0.39670 0.36175 0.31234 1.00000
S11 S 0.60330 0.36175 0.81234 1.00000
S12 S 0.60330 0.63825 0.68766 1.00000
S13 S 0.84460 0.92982 0.68739 1.00000
S14 S 0.84460 0.07018 0.81261 1.00000
S15 S 0.15540 0.07018 0.31261 1.00000
S16 S 0.15540 0.92982 0.18739 1.00000
S17 S 0.94233 0.71509 0.80343 1.00000
S18 S 0.94233 0.28491 0.69657 1.00000
S19 S 0.05767 0.28491 0.19657 1.00000
S20 S 0.05767 0.71509 0.30343 1.00000
S21 S 0.14342 0.86194 0.81451 1.00000
S22 S 0.14342 0.13806 0.68549 1.00000
S23 S 0.85658 0.13806 0.18549 1.00000
S24 S 0.85658 0.86194 0.31451 1.00000
N1 N 0.47968 0.73229 0.02779 1.00000
N2 N 0.47968 0.26771 0.47221 1.00000
N3 N 0.52032 0.26771 0.97221 1.00000
N4 N 0.52032 0.73229 0.52779 1.00000
N5 N 0.06081 0.77526 0.73625 1.00000
N6 N 0.06081 0.22474 0.76375 1.00000
N7 N 0.93919 0.22474 0.26375 1.00000
N8 N 0.93919 0.77526 0.23625 1.00000
