Cd3(HPt2)2
Alexandria ALEXAlex-ID: agm005644690 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_910_spg15
Cd3Pt5 CdHPt H3Pt
2023-06-27 03:42:04.055483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644690).
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 agm005644690
data_agm005644690
_cell_length_a 5.63851
_cell_length_b 7.43122
_cell_length_c 7.43122
_cell_angle_alpha 64.21566
_cell_angle_beta 75.73502
_cell_angle_gamma 75.73503
_cell_volume 268.24870
_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
Cd1 Cd 0.02577 0.96356 0.25862 1.00000
Cd2 Cd 0.47423 0.74138 0.03644 1.00000
Cd3 Cd 0.97423 0.03644 0.74138 1.00000
Cd4 Cd 0.52577 0.25862 0.96356 1.00000
Cd5 Cd 0.25000 0.53375 0.46625 1.00000
Cd6 Cd 0.75000 0.46625 0.53375 1.00000
H1 H 0.45678 0.11313 0.36578 1.00000
H2 H 0.04322 0.63422 0.88687 1.00000
H3 H 0.54322 0.88687 0.63422 1.00000
H4 H 0.95678 0.36578 0.11313 1.00000
Pt1 Pt 0.53843 0.87806 0.31605 1.00000
Pt2 Pt 0.96157 0.68395 0.12194 1.00000
Pt3 Pt 0.46157 0.12194 0.68395 1.00000
Pt4 Pt 0.03843 0.31605 0.87806 1.00000
Pt5 Pt 0.17290 0.27256 0.30781 1.00000
Pt6 Pt 0.32710 0.69219 0.72744 1.00000
Pt7 Pt 0.82710 0.72744 0.69219 1.00000
Pt8 Pt 0.67290 0.30781 0.27256 1.00000
获取直接链接