Sn2Pd3Pt
Alexandria ALEXAlex-ID: agm005603434 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_62_spg141
SnPd3 SnPt
2023-08-24 04:23:12.085019
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603434).
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 agm005603434
data_agm005603434
_cell_length_a 8.51765
_cell_length_b 8.51765
_cell_length_c 8.66879
_cell_angle_alpha 119.42489
_cell_angle_beta 119.42489
_cell_angle_gamma 90.00000
_cell_volume 452.33734
_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
Sn1 Sn 0.90240 0.70329 0.80481 1.00000
Sn2 Sn 0.34760 0.64848 0.69519 1.00000
Sn3 Sn 0.29671 0.09760 0.19519 1.00000
Sn4 Sn 0.35152 0.65240 0.30481 1.00000
Sn5 Sn 0.89848 0.09760 0.19519 1.00000
Sn6 Sn 0.95329 0.65240 0.30481 1.00000
Sn7 Sn 0.34760 0.04671 0.69519 1.00000
Sn8 Sn 0.90240 0.10152 0.80481 1.00000
Pd1 Pd 0.28589 0.71410 1.00000 1.00000
Pd2 Pd 0.12500 0.87500 0.25000 1.00000
Pd3 Pd 0.12500 0.37500 0.25000 1.00000
Pd4 Pd 0.71410 0.71410 1.00000 1.00000
Pd5 Pd 0.71410 0.28590 0.00000 1.00000
Pd6 Pd 0.96410 0.46410 0.50000 1.00000
Pd7 Pd 0.62500 0.87500 0.75000 1.00000
Pd8 Pd 0.12500 0.87500 0.75000 1.00000
Pd9 Pd 0.53590 0.03590 0.50000 1.00000
Pd10 Pd 0.53590 0.46410 0.50000 1.00000
Pd11 Pd 0.28590 0.28590 0.00000 1.00000
Pd12 Pd 0.96410 0.03590 0.50000 1.00000
Pt1 Pt 0.39126 0.39126 0.78252 1.00000
Pt2 Pt 0.60874 0.60874 0.21748 1.00000
Pt3 Pt 0.64126 0.14126 0.28252 1.00000
Pt4 Pt 0.85874 0.35874 0.71748 1.00000
