HoSi(H3Pd)2
Alexandria ALEXAlex-ID: agm007900517 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
Ho3(Si3Pd10)2 HoH3 SiH20 SiPd2
2024-06-24 11:59:22.683233
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007900517).
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 agm007900517
data_agm007900517
_cell_length_a 6.35834
_cell_length_b 6.35834
_cell_length_c 5.42254
_cell_angle_alpha 76.76174
_cell_angle_beta 76.76174
_cell_angle_gamma 101.10081
_cell_volume 200.66640
_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 0.84440 0.15560 0.75000 1.00000
Ho2 Ho 0.15560 0.84440 0.25000 1.00000
Si1 Si 0.31336 0.68664 0.75000 1.00000
Si2 Si 0.68664 0.31336 0.25000 1.00000
H1 H 0.46343 0.03321 0.89597 1.00000
H2 H 0.96679 0.53657 0.60403 1.00000
H3 H 0.53657 0.96679 0.10403 1.00000
H4 H 0.03321 0.46343 0.39597 1.00000
H5 H 0.16251 0.18173 0.90263 1.00000
H6 H 0.81827 0.83749 0.59737 1.00000
H7 H 0.83749 0.81827 0.09737 1.00000
H8 H 0.18173 0.16251 0.40263 1.00000
H9 H 0.63884 0.44373 0.45055 1.00000
H10 H 0.55627 0.36116 0.04945 1.00000
H11 H 0.36116 0.55627 0.54945 1.00000
H12 H 0.44373 0.63884 0.95055 1.00000
Pd1 Pd 0.07619 0.32598 0.14844 1.00000
Pd2 Pd 0.67402 0.92381 0.35156 1.00000
Pd3 Pd 0.92381 0.67402 0.85156 1.00000
Pd4 Pd 0.32598 0.07619 0.64844 1.00000
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