Re2(CN2)3
Alexandria ALEXAlex-ID: agm005508609 · 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
A2B3C6_108_spg12
Re2N3 N2 C
2023-03-15 11:47:44.390850
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508609).
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 agm005508609
data_agm005508609
_cell_length_a 10.02415
_cell_length_b 2.90270
_cell_length_c 5.58466
_cell_angle_alpha 90.00000
_cell_angle_beta 58.60735
_cell_angle_gamma 81.67514
_cell_volume 136.70086
_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
Re1 Re 0.36529 0.81735 0.04902 1.00000
Re2 Re 0.63471 0.18265 0.95098 1.00000
C1 C 0.64412 0.67794 0.43338 1.00000
C2 C 0.35588 0.32206 0.56662 1.00000
C3 C 0.00000 0.00000 0.50000 1.00000
N1 N 0.33380 0.33310 0.80478 1.00000
N2 N 0.66620 0.66690 0.19522 1.00000
N3 N 0.39261 0.30370 0.31497 1.00000
N4 N 0.60739 0.69630 0.68503 1.00000
N5 N 0.14156 0.92922 0.32423 1.00000
N6 N 0.85844 0.07078 0.67577 1.00000
获取直接链接