Ho2H5Au2
Alexandria ALEXAlex-ID: agm007183337 · 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
A2B2C5_481_spg12
HoH11 HoAu4 HoH3
2025-05-26 23:51:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007183337).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007183337
data_agm007183337
_cell_length_a 3.76886
_cell_length_b 4.91596
_cell_length_c 6.55210
_cell_angle_alpha 107.45076
_cell_angle_beta 78.02686
_cell_angle_gamma 97.97186
_cell_volume 112.90677
_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 0.83436 0.21816 0.31031 1.00000
Ho2 Ho 0.27677 0.78183 0.68969 1.00000
H1 H 0.73214 0.09673 0.62034 1.00000
H2 H 0.37893 0.90332 0.37967 1.00000
H3 H 0.79303 0.61407 0.56215 1.00000
H4 H 0.31811 0.38594 0.43784 1.00000
H5 H 0.55561 0.99996 0.99997 1.00000
Au1 Au 0.84157 0.30401 0.87517 1.00000
Au2 Au 0.26949 0.69598 0.12485 1.00000
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