Ho2Zn12GaNi3
Alexandria ALEXAlex-ID: agm004501643 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D12_103_spg166
Ho2Zn13Ni4 Ho(Zn5Ni)2 Ho2Zn17 HoGa2Ni
2022-06-20 15:20:22.598586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004501643).
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 agm004501643
data_agm004501643
_cell_length_a 6.65261
_cell_length_b 6.65261
_cell_length_c 6.65261
_cell_angle_alpha 84.49502
_cell_angle_beta 84.49502
_cell_angle_gamma 84.49502
_cell_volume 290.59614
_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 0.75778 0.75778 0.75778 1.00000
Ho2 Ho 0.24222 0.24222 0.24222 1.00000
Zn1 Zn 0.42631 0.42631 0.84592 1.00000
Zn2 Zn 0.80191 0.80191 0.28976 1.00000
Zn3 Zn 0.28976 0.80191 0.80191 1.00000
Zn4 Zn 0.84592 0.42631 0.42631 1.00000
Zn5 Zn 0.80191 0.28976 0.80191 1.00000
Zn6 Zn 0.42631 0.84592 0.42631 1.00000
Zn7 Zn 0.57369 0.57369 0.15408 1.00000
Zn8 Zn 0.19809 0.19809 0.71024 1.00000
Zn9 Zn 0.71024 0.19809 0.19809 1.00000
Zn10 Zn 0.15408 0.57369 0.57369 1.00000
Zn11 Zn 0.19809 0.71024 0.19809 1.00000
Zn12 Zn 0.57369 0.15408 0.57369 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.00000 0.50000 0.00000 1.00000
Ni3 Ni 0.00000 0.00000 0.50000 1.00000
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