Li2Pd5PtAu
Alexandria ALEXAlex-ID: agm005175945 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
LiPd2Au LiPd5Au2 LiPd7 LiPd2Pt
2023-01-08 08:41:08.158208
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175945).
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 agm005175945
data_agm005175945
_cell_length_a 5.82358
_cell_length_b 5.82358
_cell_length_c 8.89913
_cell_angle_alpha 109.09888
_cell_angle_beta 109.09888
_cell_angle_gamma 90.00000
_cell_volume 267.55026
_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
Li1 Li 0.11811 0.38189 0.00000 1.00000
Li2 Li 0.61811 0.11811 0.00000 1.00000
Li3 Li 0.38189 0.88189 1.00000 1.00000
Li4 Li 0.88189 0.61811 0.00000 1.00000
Pd1 Pd 0.89584 0.39584 0.25628 1.00000
Pd2 Pd 0.63956 0.13956 0.74372 1.00000
Pd3 Pd 0.10416 0.60416 0.74372 1.00000
Pd4 Pd 0.13956 0.10416 0.74372 1.00000
Pd5 Pd 0.60416 0.63956 0.74372 1.00000
Pd6 Pd 0.86044 0.89584 0.25628 1.00000
Pd7 Pd 0.39584 0.36044 0.25628 1.00000
Pd8 Pd 0.36044 0.86044 0.25628 1.00000
Pd9 Pd 0.50000 0.50000 0.00000 1.00000
Pd10 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25000 0.25000 0.50000 1.00000
Pt2 Pt 0.75000 0.75000 0.50000 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
获取直接链接