Ho2GeHAu6
Alexandria ALEXAlex-ID: agm007446335 · 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
ABC2D6_224_spg148
HoH3 HoAu4 HoAu3 Ge
2024-06-24 12:06:26.693150
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007446335).
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 agm007446335
data_agm007446335
_cell_length_a 7.12770
_cell_length_b 7.12770
_cell_length_c 7.12770
_cell_angle_alpha 49.24592
_cell_angle_beta 49.24592
_cell_angle_gamma 49.24592
_cell_volume 190.89994
_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 0.20980 0.20980 0.20980 1.00000
Ho2 Ho 0.79020 0.79020 0.79020 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.22971 0.73611 0.22971 1.00000
Au2 Au 0.77029 0.77029 0.26389 1.00000
Au3 Au 0.73611 0.22971 0.22971 1.00000
Au4 Au 0.26389 0.77029 0.77029 1.00000
Au5 Au 0.22971 0.22971 0.73611 1.00000
Au6 Au 0.77029 0.26389 0.77029 1.00000
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