SbN9
Alexandria ALEXAlex-ID: agm005267963 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB9_4_spg148
SbN N2
2023-05-08 07:28:01.654871
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267963).
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
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# CIF generated by HEAS from Alexandria entry agm005267963
data_agm005267963
_cell_length_a 8.41027
_cell_length_b 8.41027
_cell_length_c 8.41027
_cell_angle_alpha 50.92675
_cell_angle_beta 50.92675
_cell_angle_gamma 50.92675
_cell_volume 330.65769
_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 0.68508 0.68508 0.68508 1.00000
Sb2 Sb 0.31492 0.31492 0.31492 1.00000
N1 N 0.62833 0.38175 0.87185 1.00000
N2 N 0.87185 0.62833 0.38175 1.00000
N3 N 0.38175 0.87185 0.62833 1.00000
N4 N 0.37167 0.61825 0.12815 1.00000
N5 N 0.12815 0.37167 0.61825 1.00000
N6 N 0.61825 0.12815 0.37167 1.00000
N7 N 0.72389 0.26930 0.76743 1.00000
N8 N 0.76743 0.72389 0.26930 1.00000
N9 N 0.26930 0.76743 0.72389 1.00000
N10 N 0.27611 0.73070 0.23257 1.00000
N11 N 0.23257 0.27611 0.73070 1.00000
N12 N 0.73070 0.23257 0.27611 1.00000
N13 N 0.81244 0.16102 0.67311 1.00000
N14 N 0.67311 0.81244 0.16102 1.00000
N15 N 0.16102 0.67311 0.81244 1.00000
N16 N 0.18756 0.83898 0.32689 1.00000
N17 N 0.32689 0.18756 0.83898 1.00000
N18 N 0.83898 0.32689 0.18756 1.00000
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