LiPd
Alexandria ALEXAlex-ID: agm004464829 · 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
AB_2210_spg70
LiPd
2022-05-30 08:31:15.608078
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004464829).
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 agm004464829
data_agm004464829
_cell_length_a 2.72677
_cell_length_b 15.79663
_cell_length_c 10.58108
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 455.76776
_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 0.00000 0.00000 0.62702 1.00000
Li2 Li 0.00000 0.00000 0.37298 1.00000
Li3 Li 0.25000 0.75000 0.62298 1.00000
Li4 Li 0.25000 0.75000 0.87702 1.00000
Li5 Li 0.00000 0.50000 0.12702 1.00000
Li6 Li 0.00000 0.50000 0.87298 1.00000
Li7 Li 0.25000 0.25000 0.12298 1.00000
Li8 Li 0.25000 0.25000 0.37702 1.00000
Li9 Li 0.50000 0.00000 0.12702 1.00000
Li10 Li 0.50000 0.00000 0.87298 1.00000
Li11 Li 0.75000 0.75000 0.12298 1.00000
Li12 Li 0.75000 0.75000 0.37702 1.00000
Li13 Li 0.50000 0.50000 0.62702 1.00000
Li14 Li 0.50000 0.50000 0.37298 1.00000
Li15 Li 0.75000 0.25000 0.62298 1.00000
Li16 Li 0.75000 0.25000 0.87702 1.00000
Pd1 Pd 0.00000 0.11875 0.00000 1.00000
Pd2 Pd 0.00000 0.88125 0.00000 1.00000
Pd3 Pd 0.25000 0.63125 0.25000 1.00000
Pd4 Pd 0.25000 0.86875 0.25000 1.00000
Pd5 Pd 0.00000 0.61875 0.50000 1.00000
Pd6 Pd 0.00000 0.38125 0.50000 1.00000
Pd7 Pd 0.25000 0.13125 0.75000 1.00000
Pd8 Pd 0.25000 0.36875 0.75000 1.00000
Pd9 Pd 0.50000 0.11875 0.50000 1.00000
Pd10 Pd 0.50000 0.88125 0.50000 1.00000
Pd11 Pd 0.75000 0.63125 0.75000 1.00000
Pd12 Pd 0.75000 0.86875 0.75000 1.00000
Pd13 Pd 0.50000 0.61875 0.00000 1.00000
Pd14 Pd 0.50000 0.38125 0.00000 1.00000
Pd15 Pd 0.75000 0.13125 0.25000 1.00000
Pd16 Pd 0.75000 0.36875 0.25000 1.00000
