Ac(H2Pd)3
Alexandria ALEXAlex-ID: agm007335916 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_6_spg2
AcH4Pd Ac(H3Pd)2 AcH7Pd5
2025-05-27 20:05:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007335916).
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 agm007335916
data_agm007335916
_cell_length_a 4.96023
_cell_length_b 4.97174
_cell_length_c 5.77751
_cell_angle_alpha 64.61614
_cell_angle_beta 64.67037
_cell_angle_gamma 60.53268
_cell_volume 107.72442
_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
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
H1 H 0.06128 0.11993 0.25670 1.00000
H2 H 0.38100 0.43865 0.74299 1.00000
H3 H 0.93872 0.88007 0.74330 1.00000
H4 H 0.61900 0.56135 0.25701 1.00000
H5 H 0.06124 0.56061 0.26176 1.00000
H6 H 0.93876 0.43939 0.73824 1.00000
Pd1 Pd 0.00000 0.50000 0.00000 1.00000
Pd2 Pd 0.28956 0.79085 0.13156 1.00000
Pd3 Pd 0.71044 0.20915 0.86844 1.00000
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