Ho6Zn2Au
Alexandria ALEXAlex-ID: agm005804729 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_160_spg71
Ho2Zn Ho2Au
2023-07-10 16:18:23.640711
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804729).
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 agm005804729
data_agm005804729
_cell_length_a 8.44559
_cell_length_b 8.44559
_cell_length_c 8.44559
_cell_angle_alpha 109.34291
_cell_angle_beta 110.78848
_cell_angle_gamma 108.29200
_cell_volume 463.51066
_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 0.55941 0.73578 0.82363 1.00000
Ho2 Ho 0.44059 0.26422 0.17637 1.00000
Ho3 Ho 0.08786 0.26422 0.82363 1.00000
Ho4 Ho 0.91214 0.73578 0.17637 1.00000
Ho5 Ho 0.80515 0.74767 0.55282 1.00000
Ho6 Ho 0.19485 0.25233 0.44718 1.00000
Ho7 Ho 0.19485 0.74767 0.94252 1.00000
Ho8 Ho 0.80515 0.25233 0.05748 1.00000
Ho9 Ho 0.71759 0.39349 0.67590 1.00000
Ho10 Ho 0.28241 0.60651 0.32410 1.00000
Ho11 Ho 0.28241 0.95831 0.67590 1.00000
Ho12 Ho 0.71759 0.04169 0.32410 1.00000
Zn1 Zn 0.50000 0.37247 0.87247 1.00000
Zn2 Zn 0.50000 0.62753 0.12753 1.00000
Zn3 Zn 0.63585 0.00000 0.63585 1.00000
Zn4 Zn 0.36415 1.00000 0.36415 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 1.00000 0.00000 0.00000 1.00000
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