K2H5Pd2
Alexandria ALEXAlex-ID: agm007136715 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1020_spg9
HPd K2H4Pd
2024-01-27 17:48:13.314113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007136715).
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 agm007136715
data_agm007136715
_cell_length_a 10.31697
_cell_length_b 10.31697
_cell_length_c 5.01823
_cell_angle_alpha 75.91520
_cell_angle_beta 75.91520
_cell_angle_gamma 28.08626
_cell_volume 243.43208
_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
K1 K 0.12500 0.61953 0.12777 1.00000
K2 K 0.87514 0.38036 0.37222 1.00000
K3 K 0.61964 0.12486 0.62778 1.00000
K4 K 0.38047 0.87500 0.87223 1.00000
H1 H 0.74920 0.75029 0.50026 1.00000
H2 H 0.24971 0.25080 0.49974 1.00000
H3 H 0.74920 0.75029 0.00026 1.00000
H4 H 0.24971 0.25080 0.99974 1.00000
H5 H 0.16008 0.66688 0.58649 1.00000
H6 H 0.84030 0.33274 0.91352 1.00000
H7 H 0.66726 0.15970 0.08648 1.00000
H8 H 0.33312 0.83992 0.41351 1.00000
H9 H 0.50032 0.49969 0.74994 1.00000
H10 H 0.50031 0.49968 0.25006 1.00000
Pd1 Pd 0.99951 0.50049 0.75000 1.00000
Pd2 Pd 0.49951 0.00049 0.25000 1.00000
Pd3 Pd 0.25556 0.74444 0.50000 1.00000
Pd4 Pd 0.74489 0.25511 0.00000 1.00000
获取直接链接