Ho(H4Pd)2
Alexandria ALEXAlex-ID: agm006402425 · 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
AB2C8_796_spg12
Ho(HPd)4 H4Pd HoH11
2024-02-29 20:03:01.477279
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006402425).
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 agm006402425
data_agm006402425
_cell_length_a 6.38761
_cell_length_b 6.38761
_cell_length_c 4.97815
_cell_angle_alpha 93.07075
_cell_angle_beta 93.07075
_cell_angle_gamma 28.30815
_cell_volume 96.17342
_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
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
H1 H 0.42359 0.42359 0.00609 1.00000
H2 H 0.72852 0.72852 0.14550 1.00000
H3 H 0.89116 0.89116 0.31744 1.00000
H4 H 0.88875 0.88875 0.64535 1.00000
H5 H 0.10884 0.10884 0.68256 1.00000
H6 H 0.27148 0.27148 0.85450 1.00000
H7 H 0.57641 0.57641 0.99391 1.00000
H8 H 0.11125 0.11125 0.35465 1.00000
Pd1 Pd 0.85383 0.85383 0.97801 1.00000
Pd2 Pd 0.14617 0.14617 0.02199 1.00000
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