HoZnAg3
Alexandria ALEXAlex-ID: agm005779062 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5292_spg6
HoAg4 Ho2Zn3Ag4 Ag
2023-07-06 06:18:19.068742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779062).
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 agm005779062
data_agm005779062
_cell_length_a 4.63813
_cell_length_b 6.06114
_cell_length_c 6.88312
_cell_angle_alpha 94.83526
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99999
_cell_volume 192.81187
_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 0.38100 0.58656 0.16386 1.00000
Ho2 Ho 0.88100 0.08822 0.64220 1.00000
Zn1 Zn 0.38100 0.77826 0.58840 1.00000
Zn2 Zn 0.88100 0.89652 0.21766 1.00000
Ag1 Ag 0.88100 0.53744 0.45372 1.00000
Ag2 Ag 0.38100 0.13734 0.35234 1.00000
Ag3 Ag 0.88100 0.66855 0.86351 1.00000
Ag4 Ag 0.88100 0.27841 0.07765 1.00000
Ag5 Ag 0.38100 0.39637 0.72841 1.00000
Ag6 Ag 0.38100 0.00623 0.94255 1.00000
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