Pd5(PtAu)2
Alexandria ALEXAlex-ID: agm008717543 · 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
A2B2C5_369_spg12
Pd3Pt2 PdAu
2024-05-15 06:58:33.074299
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008717543).
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 agm008717543
data_agm008717543
_cell_length_a 4.91291
_cell_length_b 4.91291
_cell_length_c 8.48956
_cell_angle_alpha 72.92041
_cell_angle_beta 72.92041
_cell_angle_gamma 47.82950
_cell_volume 143.81759
_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
Pd1 Pd 0.33190 0.33190 0.89016 1.00000
Pd2 Pd 0.66810 0.66810 0.10984 1.00000
Pd3 Pd 0.67013 0.67013 0.44213 1.00000
Pd4 Pd 0.32987 0.32987 0.55787 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.33499 0.33499 0.21750 1.00000
Pt2 Pt 0.66501 0.66501 0.78250 1.00000
Au1 Au 0.00075 0.00075 0.33206 1.00000
Au2 Au 0.99925 0.99925 0.66794 1.00000
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