C3N
Alexandria ALEXAlex-ID: agm005221484 · 空间群: P2_12_12_1 (#19)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_1570_spg19
N2 C
2023-05-07 01:17:02.005704
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221484).
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 agm005221484
data_agm005221484
_cell_length_a 4.32286
_cell_length_b 4.67671
_cell_length_c 9.15315
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 185.04722
_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 0.14071 0.31470 0.43285 1.00000
C2 C 0.35929 0.68530 0.93285 1.00000
C3 C 0.64071 0.18530 0.56715 1.00000
C4 C 0.85929 0.81470 0.06715 1.00000
C5 C 0.65347 0.83926 0.93782 1.00000
C6 C 0.84653 0.16074 0.43782 1.00000
C7 C 0.15347 0.66074 0.06218 1.00000
C8 C 0.34653 0.33926 0.56218 1.00000
C9 C 0.71461 0.05811 0.69486 1.00000
C10 C 0.78539 0.94189 0.19486 1.00000
C11 C 0.21461 0.44189 0.30514 1.00000
C12 C 0.28539 0.55811 0.80514 1.00000
N1 N 0.74270 0.99341 0.82318 1.00000
N2 N 0.75730 0.00659 0.32318 1.00000
N3 N 0.24270 0.50659 0.17682 1.00000
N4 N 0.25730 0.49341 0.67682 1.00000
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