Sr(Ag3Pd2)2
Alexandria ALEXAlex-ID: agm003662017 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Ag3Pd Sr3Ag2Pd7 Ag
2022-04-08 13:28:44.579367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662017).
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 agm003662017
data_agm003662017
_cell_length_a 6.99458
_cell_length_b 6.99458
_cell_length_c 6.99458
_cell_angle_alpha 87.42078
_cell_angle_beta 121.50012
_cell_angle_gamma 121.50012
_cell_volume 236.22812
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.75261 0.44952 1.00000
Ag2 Ag 0.00000 0.44952 0.75261 1.00000
Ag3 Ag 0.69690 0.24739 0.24739 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.30310 0.55048 0.55048 1.00000
Ag6 Ag 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.10505 0.56660 1.00000
Pd2 Pd 0.53844 0.43340 0.43340 1.00000
Pd3 Pd 0.00000 0.56660 0.10505 1.00000
Pd4 Pd 0.46156 0.89495 0.89495 1.00000
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