SbS4N3
Alexandria ALEXAlex-ID: agm005490004 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_646_spg1
Sb(SN)2 SN SbS2
2023-03-19 05:40:45.505423
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490004).
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 agm005490004
data_agm005490004
_cell_length_a 6.14313
_cell_length_b 4.96270
_cell_length_c 7.39559
_cell_angle_alpha 111.55950
_cell_angle_beta 106.69980
_cell_angle_gamma 100.17225
_cell_volume 190.50253
_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
Sb1 Sb 0.17089 0.93502 0.07240 1.00000
S1 S 0.15905 0.25280 0.55459 1.00000
S2 S 0.72273 0.93047 0.96947 1.00000
S3 S 0.87530 0.65693 0.61656 1.00000
S4 S 0.79224 0.29074 0.90460 1.00000
N1 N 0.98265 0.42091 0.47304 1.00000
N2 N 0.06651 0.47055 0.02188 1.00000
N3 N 0.23062 0.04257 0.38744 1.00000
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