Li2Ag3Pd4
Alexandria ALEXAlex-ID: agm005634849 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_1067_spg12
LiAgPd2 Ag
2023-06-27 08:42:30.244223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005634849).
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
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# CIF generated by HEAS from Alexandria entry agm005634849
data_agm005634849
_cell_length_a 4.02624
_cell_length_b 4.89069
_cell_length_c 8.31169
_cell_angle_alpha 73.85700
_cell_angle_beta 75.98337
_cell_angle_gamma 65.69317
_cell_volume 141.74291
_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 0.33623 0.11294 0.21459 1.00000
Li2 Li 0.66377 0.88706 0.78541 1.00000
Ag1 Ag 0.33034 0.78094 0.55838 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.66966 0.21906 0.44162 1.00000
Pd1 Pd 0.66599 0.55883 0.10918 1.00000
Pd2 Pd 0.99450 0.34212 0.66888 1.00000
Pd3 Pd 0.00550 0.65788 0.33112 1.00000
Pd4 Pd 0.33401 0.44117 0.89082 1.00000
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