Cu7Pd3
Alexandria ALEXAlex-ID: agm007802397 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B7_68_spg2
Cu2Pd Cu
2024-04-21 17:44:10.501473
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007802397).
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 agm007802397
data_agm007802397
_cell_length_a 9.61406
_cell_length_b 9.61406
_cell_length_c 3.73329
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 157.72152
_cell_volume 130.81844
_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 0.20396 0.79604 0.50000 1.00000
Cu2 Cu 0.29664 0.70336 0.00000 1.00000
Cu3 Cu 0.50002 0.49998 0.00000 1.00000
Cu4 Cu 0.60412 0.39588 0.50000 1.00000
Cu5 Cu 0.70324 0.29676 0.00000 1.00000
Cu6 Cu 0.79632 0.20368 0.50000 1.00000
Cu7 Cu 0.89614 0.10386 0.00000 1.00000
Pd1 Pd 0.00015 0.99985 0.50000 1.00000
Pd2 Pd 0.10637 0.89363 0.00000 1.00000
Pd3 Pd 0.39360 0.60640 0.50000 1.00000
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