Zn(H3Pd2)2
Alexandria ALEXAlex-ID: agm007336737 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_210_spg8
ZnHPd2 H4Pd HPd
2025-05-27 20:56:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007336737).
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 agm007336737
data_agm007336737
_cell_length_a 4.25997
_cell_length_b 5.39509
_cell_length_c 5.39320
_cell_angle_alpha 81.92876
_cell_angle_beta 65.55645
_cell_angle_gamma 62.69142
_cell_volume 100.07775
_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
Zn1 Zn 0.41907 0.12840 0.78260 1.00000
H1 H 0.10961 0.57794 0.53600 1.00000
H2 H 0.38522 0.13737 0.38679 1.00000
H3 H 0.57989 0.56818 0.58671 1.00000
H4 H 0.90508 0.13490 0.35200 1.00000
H5 H 0.71970 0.71071 0.14377 1.00000
H6 H 0.54039 0.34658 0.01172 1.00000
Pd1 Pd 0.71778 0.59341 0.84700 1.00000
Pd2 Pd 0.85129 0.00906 0.08756 1.00000
Pd3 Pd 0.22232 0.86515 0.49399 1.00000
Pd4 Pd 0.04974 0.42807 0.27163 1.00000
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