PrMnCu10
Alexandria ALEXAlex-ID: agm005245388 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC10_26_spg35
PrCu5 Cu Mn
2023-05-09 19:59:25.064848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245388).
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 agm005245388
data_agm005245388
_cell_length_a 8.24836
_cell_length_b 8.24836
_cell_length_c 4.97085
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98930
_cell_volume 338.19355
_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
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.50000 0.00000 1.00000
Mn1 Mn 0.61666 0.61666 0.00000 1.00000
Mn2 Mn 0.38334 0.38334 0.00000 1.00000
Cu1 Cu 0.43393 0.20933 0.50000 1.00000
Cu2 Cu 0.56607 0.79067 0.50000 1.00000
Cu3 Cu 0.06596 0.71156 0.50000 1.00000
Cu4 Cu 0.93404 0.28844 0.50000 1.00000
Cu5 Cu 0.28844 0.93404 0.50000 1.00000
Cu6 Cu 0.71156 0.06596 0.50000 1.00000
Cu7 Cu 0.79067 0.56607 0.50000 1.00000
Cu8 Cu 0.20933 0.43393 0.50000 1.00000
Cu9 Cu 0.67830 0.32170 0.23920 1.00000
Cu10 Cu 0.32170 0.67830 0.23920 1.00000
Cu11 Cu 0.82276 0.82276 0.23873 1.00000
Cu12 Cu 0.17724 0.17724 0.23873 1.00000
Cu13 Cu 0.32170 0.67830 0.76080 1.00000
Cu14 Cu 0.67830 0.32170 0.76080 1.00000
Cu15 Cu 0.17724 0.17724 0.76127 1.00000
Cu16 Cu 0.82276 0.82276 0.76127 1.00000
Cu17 Cu 0.00000 0.00000 0.50000 1.00000
Cu18 Cu 0.50000 0.50000 0.50000 1.00000
Cu19 Cu 0.88802 0.11198 0.00000 1.00000
Cu20 Cu 0.11198 0.88802 0.00000 1.00000
