HoZn8Ga2Cu
Alexandria ALEXAlex-ID: agm004885705 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_298_spg12
Zn15Cu Ho2Zn17 Zn3Cu HoGa3
2022-12-21 05:33:57.510441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004885705).
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 agm004885705
data_agm004885705
_cell_length_a 4.43780
_cell_length_b 4.43780
_cell_length_c 11.48495
_cell_angle_alpha 99.65661
_cell_angle_beta 99.65661
_cell_angle_gamma 67.13229
_cell_volume 204.14162
_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 0.50000 1.00000
Zn1 Zn 0.79781 0.29487 0.81622 1.00000
Zn2 Zn 0.67278 0.67278 0.03982 1.00000
Zn3 Zn 0.74012 0.74012 0.66898 1.00000
Zn4 Zn 0.25988 0.25988 0.33102 1.00000
Zn5 Zn 0.32722 0.32722 0.96018 1.00000
Zn6 Zn 0.29487 0.79781 0.81622 1.00000
Zn7 Zn 0.70513 0.20219 0.18378 1.00000
Zn8 Zn 0.20219 0.70513 0.18378 1.00000
Ga1 Ga 0.62297 0.62297 0.37496 1.00000
Ga2 Ga 0.37703 0.37703 0.62504 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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