Ag3(Pd2Pb)2
Alexandria ALEXAlex-ID: agm005667367 · 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
PdPb Pd3Pb Ag
2023-06-27 21:31:46.678368
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667367).
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 agm005667367
data_agm005667367
_cell_length_a 4.33074
_cell_length_b 4.86663
_cell_length_c 8.85190
_cell_angle_alpha 80.14631
_cell_angle_beta 89.62906
_cell_angle_gamma 63.71359
_cell_volume 164.29572
_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
Ag1 Ag 0.33884 0.32124 0.44755 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.66116 0.67876 0.55245 1.00000
Pd1 Pd 0.66876 0.66203 0.89066 1.00000
Pd2 Pd 0.00035 0.99969 0.33007 1.00000
Pd3 Pd 0.99965 0.00031 0.66993 1.00000
Pd4 Pd 0.33124 0.33797 0.10934 1.00000
Pb1 Pb 0.33265 0.33526 0.78033 1.00000
Pb2 Pb 0.66735 0.66474 0.21967 1.00000
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