PaCoCu
Alexandria ALEXAlex-ID: agm070179591 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_62_spg189
PaCo Cu
2024-07-21 05:06:02.455334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070179591).
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 agm070179591
data_agm070179591
_cell_length_a 6.78162
_cell_length_b 6.78162
_cell_length_c 3.70674
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 147.63538
_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
Pa1 Pa 0.40372 0.40372 0.50000 1.00000
Pa2 Pa 0.00000 0.59628 0.50000 1.00000
Pa3 Pa 0.59628 0.00000 0.50000 1.00000
Co1 Co 0.33333 0.66667 0.00000 1.00000
Co2 Co 0.66667 0.33333 0.00000 1.00000
Co3 Co 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.76125 0.76125 0.00000 1.00000
Cu2 Cu 0.00000 0.23875 0.00000 1.00000
Cu3 Cu 0.23875 0.00000 0.00000 1.00000
获取直接链接