CSN2
Alexandria ALEXAlex-ID: agm005256340 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8701_spg14
SN C N2
2023-05-07 04:24:17.584549
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256340).
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 agm005256340
data_agm005256340
_cell_length_a 4.41783
_cell_length_b 5.12761
_cell_length_c 13.96396
_cell_angle_alpha 79.02684
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 310.54131
_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
C1 C 0.81692 0.86493 0.90829 1.00000
C2 C 0.31692 0.13507 0.59171 1.00000
C3 C 0.18308 0.13507 0.09171 1.00000
C4 C 0.68308 0.86493 0.40829 1.00000
S1 S 0.93669 0.07527 0.80146 1.00000
S2 S 0.43669 0.92473 0.69854 1.00000
S3 S 0.06331 0.92473 0.19854 1.00000
S4 S 0.56331 0.07527 0.30146 1.00000
N1 N 0.14283 0.83607 0.76430 1.00000
N2 N 0.64283 0.16393 0.73570 1.00000
N3 N 0.85717 0.16393 0.23570 1.00000
N4 N 0.35717 0.83607 0.26430 1.00000
N5 N 0.73245 0.75523 0.98475 1.00000
N6 N 0.23245 0.24477 0.51525 1.00000
N7 N 0.26755 0.24477 0.01525 1.00000
N8 N 0.76755 0.75523 0.48475 1.00000
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