Ag3PdO3
Alexandria ALEXAlex-ID: agm003544166 · 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
AB3C3_325_spg12
AgPdO2 Ag2O
2022-04-03 06:11:32.468465
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544166).
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 agm003544166
data_agm003544166
_cell_length_a 5.50825
_cell_length_b 5.50825
_cell_length_c 7.18188
_cell_angle_alpha 93.51172
_cell_angle_beta 93.51172
_cell_angle_gamma 110.80031
_cell_volume 202.51354
_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 0.67390 0.67390 0.37133 1.00000
Ag2 Ag 0.19393 0.80607 0.50000 1.00000
Ag3 Ag 0.80607 0.19393 0.50000 1.00000
Ag4 Ag 0.31826 0.68174 0.00000 1.00000
Ag5 Ag 0.68174 0.31826 0.00000 1.00000
Ag6 Ag 0.32610 0.32610 0.62867 1.00000
Pd1 Pd 0.87990 0.87990 0.78952 1.00000
Pd2 Pd 0.12010 0.12010 0.21048 1.00000
O1 O 0.82493 0.82493 0.09537 1.00000
O2 O 0.78378 0.48747 0.73389 1.00000
O3 O 0.48747 0.78378 0.73389 1.00000
O4 O 0.21622 0.51253 0.26611 1.00000
O5 O 0.51253 0.21622 0.26611 1.00000
O6 O 0.17507 0.17507 0.90463 1.00000
获取直接链接