In4S3N2
Alexandria ALEXAlex-ID: agm005502899 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_164_spg12
InS InSN2 InN
2023-03-19 14:11:31.077082
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502899).
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 agm005502899
data_agm005502899
_cell_length_a 6.63280
_cell_length_b 6.63280
_cell_length_c 9.69385
_cell_angle_alpha 52.58756
_cell_angle_beta 52.58756
_cell_angle_gamma 33.08792
_cell_volume 180.08970
_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
In1 In 0.21980 0.21980 0.65408 1.00000
In2 In 0.78020 0.78020 0.34592 1.00000
In3 In 0.57934 0.57934 0.13476 1.00000
In4 In 0.42066 0.42066 0.86524 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.81103 0.81103 0.80029 1.00000
S3 S 0.18897 0.18897 0.19971 1.00000
N1 N 0.36649 0.36649 0.36128 1.00000
N2 N 0.63351 0.63351 0.63872 1.00000
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