Ho(Al2Ag3)2
Alexandria ALEXAlex-ID: agm003662041 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Ho(AlAg2)4 Ho3Al7Ag2 HoAl5Ag7
2022-04-08 10:07:57.137366
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662041).
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 agm003662041
data_agm003662041
_cell_length_a 6.82812
_cell_length_b 6.82812
_cell_length_c 6.82812
_cell_angle_alpha 87.77743
_cell_angle_beta 121.29139
_cell_angle_gamma 121.29139
_cell_volume 220.53269
_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 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.25508 0.57761 1.00000
Al2 Al 0.67748 0.42239 0.42239 1.00000
Al3 Al 0.00000 0.57761 0.25508 1.00000
Al4 Al 0.32252 0.74492 0.74492 1.00000
Ag1 Ag 0.00000 0.89963 0.48906 1.00000
Ag2 Ag 0.00000 0.48906 0.89963 1.00000
Ag3 Ag 0.58943 0.10037 0.10037 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.41057 0.51094 0.51094 1.00000
Ag6 Ag 0.50000 0.50000 0.00000 1.00000
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