SbPd3Pt
Alexandria ALEXAlex-ID: agm003705166 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4830_spg74
Sb7Pd20 PdPt4 Pt
2022-05-01 07:05:28.048621
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705166).
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 agm003705166
data_agm003705166
_cell_length_a 6.70802
_cell_length_b 6.70802
_cell_length_c 6.70802
_cell_angle_alpha 112.46059
_cell_angle_beta 83.25397
_cell_angle_gamma 137.34278
_cell_volume 182.46107
_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
Sb1 Sb 0.48581 0.65065 0.33517 1.00000
Sb2 Sb 0.31548 0.15065 0.66483 1.00000
Pd1 Pd 0.99054 0.24717 0.62936 1.00000
Pd2 Pd 0.99054 0.86118 0.24338 1.00000
Pd3 Pd 0.61781 0.74717 0.75662 1.00000
Pd4 Pd 0.89805 0.19212 0.20593 1.00000
Pd5 Pd 0.61781 0.36118 0.37064 1.00000
Pd6 Pd 0.98619 0.69212 0.79407 1.00000
Pt1 Pt 0.63659 0.20717 0.92941 1.00000
Pt2 Pt 0.27776 0.70717 0.07059 1.00000
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