Cu4HPd8
Alexandria ALEXAlex-ID: agm097550604 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_169_spg12
CuHPd2 CuPd2
2025-06-16 03:21:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097550604).
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
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# CIF generated by HEAS from Alexandria entry agm097550604
data_agm097550604
_cell_length_a 2.80034
_cell_length_b 8.94248
_cell_length_c 7.74029
_cell_angle_alpha 67.37868
_cell_angle_beta 100.45588
_cell_angle_gamma 99.04137
_cell_volume 175.13274
_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
Cu1 Cu 0.94805 0.08094 0.96708 1.00000
Cu2 Cu 0.12619 0.42304 0.98300 1.00000
Cu3 Cu 0.95123 0.57690 0.47821 1.00000
Cu4 Cu 0.12918 0.91902 0.49478 1.00000
H1 H 0.03785 0.00051 0.23094 1.00000
Pd1 Pd 0.61452 0.16700 0.21521 1.00000
Pd2 Pd 0.78713 0.62327 0.10470 1.00000
Pd3 Pd 0.61389 0.66336 0.71849 1.00000
Pd4 Pd 0.78819 0.12549 0.60523 1.00000
Pd5 Pd 0.46237 0.83284 0.24651 1.00000
Pd6 Pd 0.28960 0.37659 0.35663 1.00000
Pd7 Pd 0.46312 0.33665 0.74270 1.00000
Pd8 Pd 0.28868 0.87439 0.85649 1.00000
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