Ho2ZnFe2Co5
Alexandria ALEXAlex-ID: agm005142121 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
Fe4Co3 Ho3Fe2Co7 Ho2Fe2Co15 HoZn2
2022-07-14 19:03:35.034173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005142121).
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 agm005142121
data_agm005142121
_cell_length_a 3.70578
_cell_length_b 8.84164
_cell_length_c 8.84164
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.69793
_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 0.68419 0.18419 1.00000
Ho2 Ho 0.00000 0.31581 0.81581 1.00000
Ho3 Ho 0.00000 0.18419 0.31581 1.00000
Ho4 Ho 0.00000 0.81581 0.68419 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.00000 0.11264 0.61264 1.00000
Fe2 Fe 0.00000 0.88736 0.38736 1.00000
Fe3 Fe 0.00000 0.61264 0.88736 1.00000
Fe4 Fe 0.00000 0.38736 0.11264 1.00000
Co1 Co 0.50000 0.20717 0.05729 1.00000
Co2 Co 0.50000 0.79283 0.94271 1.00000
Co3 Co 0.50000 0.05729 0.79283 1.00000
Co4 Co 0.50000 0.70717 0.44271 1.00000
Co5 Co 0.50000 0.94271 0.20717 1.00000
Co6 Co 0.50000 0.29283 0.55729 1.00000
Co7 Co 0.50000 0.55729 0.70717 1.00000
Co8 Co 0.50000 0.44271 0.29283 1.00000
Co9 Co 0.50000 0.50000 0.00000 1.00000
Co10 Co 0.50000 0.00000 0.50000 1.00000
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