Pu(AgPd)2
Alexandria ALEXAlex-ID: agm003402014 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1352_spg70
PuPd2 Ag
2022-02-11 14:14:36.066033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003402014).
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 agm003402014
data_agm003402014
_cell_length_a 5.73748
_cell_length_b 5.73748
_cell_length_c 8.05773
_cell_angle_alpha 99.69083
_cell_angle_beta 99.69083
_cell_angle_gamma 121.43722
_cell_volume 212.48826
_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
Pu1 Pu 0.87458 0.62542 0.75000 1.00000
Pu2 Pu 0.12542 0.37458 0.25000 1.00000
Ag1 Ag 0.27797 0.02889 0.55768 1.00000
Ag2 Ag 0.52889 0.77797 0.05768 1.00000
Ag3 Ag 0.72203 0.97111 0.44232 1.00000
Ag4 Ag 0.47111 0.22203 0.94232 1.00000
Pd1 Pd 0.13991 0.36009 0.75000 1.00000
Pd2 Pd 0.39091 0.10909 0.25000 1.00000
Pd3 Pd 0.60909 0.89091 0.75000 1.00000
Pd4 Pd 0.86009 0.63991 0.25000 1.00000
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