H6PdPt
Alexandria ALEXAlex-ID: agm079256872 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_672_spg71
H4Pd HPd H3Pt
2025-05-27 04:38:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079256872).
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 agm079256872
data_agm079256872
_cell_length_a 3.97081
_cell_length_b 5.01652
_cell_length_c 3.91311
_cell_angle_alpha 65.27314
_cell_angle_beta 84.80554
_cell_angle_gamma 64.91843
_cell_volume 63.76689
_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
H1 H 0.14627 0.74118 0.27080 1.00000
H2 H 0.52422 0.74133 0.89976 1.00000
H3 H 0.79569 0.48134 0.55045 1.00000
H4 H 0.12838 0.48348 0.87337 1.00000
H5 H 0.78254 0.18288 0.18910 1.00000
H6 H 0.43499 0.18264 0.52846 1.00000
Pd1 Pd 0.14476 0.11407 0.89489 1.00000
Pt1 Pt 0.79315 0.82308 0.54317 1.00000
获取直接链接