CuSeN
Alexandria ALEXAlex-ID: agm005608786 · 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
ABC_6900_spg2
CuSeN2 CuSe
2023-06-18 07:53:55.150804
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608786).
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 agm005608786
data_agm005608786
_cell_length_a 8.49984
_cell_length_b 4.99185
_cell_length_c 9.79929
_cell_angle_alpha 134.84539
_cell_angle_beta 149.29703
_cell_angle_gamma 70.06490
_cell_volume 102.37163
_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
Cu1 Cu 0.39865 0.11862 0.89591 1.00000
Cu2 Cu 0.90459 0.16878 0.67086 1.00000
Se1 Se 0.74423 0.66191 0.67871 1.00000
Se2 Se 0.55901 0.62547 0.88805 1.00000
N1 N 0.76312 0.71650 0.23903 1.00000
N2 N 0.54013 0.57090 0.32773 1.00000
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