Sr(PmCu3)2
Alexandria ALEXAlex-ID: agm005609587 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_302_spg191
PmCu5 PmCu2 SrCu
2023-07-12 08:45:42.382644
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609587).
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 agm005609587
data_agm005609587
_cell_length_a 3.84021
_cell_length_b 7.44646
_cell_length_c 7.44798
_cell_angle_alpha 119.99327
_cell_angle_beta 89.99568
_cell_angle_gamma 89.99999
_cell_volume 184.46068
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.99966 0.33393 0.66785 1.00000
Pm2 Pm 0.00034 0.66607 0.33215 1.00000
Cu1 Cu 0.50328 0.33684 0.33756 1.00000
Cu2 Cu 0.49672 0.66316 0.66244 1.00000
Cu3 Cu 0.49672 0.99928 0.66244 1.00000
Cu4 Cu 0.50000 0.66324 1.00000 1.00000
Cu5 Cu 0.50000 0.33676 1.00000 1.00000
Cu6 Cu 0.50328 0.00072 0.33756 1.00000
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