Y3HoZn
Alexandria ALEXAlex-ID: agm005774842 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6235_spg63
YHo8 Y5Ho Y2Zn
2023-07-06 09:17:06.823131
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774842).
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 agm005774842
data_agm005774842
_cell_length_a 3.63673
_cell_length_b 5.38308
_cell_length_c 14.64942
_cell_angle_alpha 89.91879
_cell_angle_beta 97.13025
_cell_angle_gamma 90.00000
_cell_volume 284.57103
_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
Y1 Y 0.04471 0.25337 0.08941 1.00000
Y2 Y 0.95529 0.74663 0.91059 1.00000
Y3 Y 0.34100 0.74961 0.68199 1.00000
Y4 Y 0.65900 0.25039 0.31801 1.00000
Y5 Y 0.12386 0.75100 0.24772 1.00000
Y6 Y 0.87614 0.24900 0.75228 1.00000
Ho1 Ho 0.73227 0.75012 0.46454 1.00000
Ho2 Ho 0.26773 0.24988 0.53546 1.00000
Zn1 Zn 0.54020 0.75721 0.08041 1.00000
Zn2 Zn 0.45980 0.24279 0.91959 1.00000
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