Ho(H2Pd)3
Alexandria ALEXAlex-ID: agm007693673 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_1811_spg2
Ho(HPd)4 H4Pd HoH11
2025-05-27 20:19:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007693673).
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 agm007693673
data_agm007693673
_cell_length_a 3.65656
_cell_length_b 6.54051
_cell_length_c 5.45167
_cell_angle_alpha 116.74302
_cell_angle_beta 109.88254
_cell_angle_gamma 104.41423
_cell_volume 96.13655
_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 0.00000 0.50000 0.50000 1.00000
H1 H 0.87851 0.63446 0.14561 1.00000
H2 H 0.37761 0.86833 0.01645 1.00000
H3 H 0.35483 0.26894 0.42250 1.00000
H4 H 0.12149 0.36554 0.85439 1.00000
H5 H 0.62239 0.13167 0.98355 1.00000
H6 H 0.64517 0.73106 0.57750 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.45765 0.72104 0.21914 1.00000
Pd3 Pd 0.54235 0.27896 0.78086 1.00000
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