Ho3Fe2As3
Alexandria ALEXAlex-ID: agm012489461 · 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
A2B3C3_10_spg63
Fe HoAs
2024-07-09 06:26:07.066742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012489461).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm012489461
data_agm012489461
_cell_length_a 5.66944
_cell_length_b 5.66944
_cell_length_c 13.85374
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 137.40326
_cell_volume 301.39027
_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 0.07824 0.92176 0.89082 1.00000
Ho2 Ho 0.92176 0.07824 0.39082 1.00000
Ho3 Ho 0.07824 0.92176 0.60918 1.00000
Ho4 Ho 0.92176 0.07824 0.10918 1.00000
Ho5 Ho 0.36029 0.63971 0.75000 1.00000
Ho6 Ho 0.63971 0.36029 0.25000 1.00000
Fe1 Fe 0.21866 0.78134 0.41155 1.00000
Fe2 Fe 0.78134 0.21866 0.91155 1.00000
Fe3 Fe 0.21866 0.78134 0.08845 1.00000
Fe4 Fe 0.78134 0.21866 0.58845 1.00000
As1 As 0.37278 0.62722 0.95440 1.00000
As2 As 0.62722 0.37278 0.45440 1.00000
As3 As 0.37278 0.62722 0.54560 1.00000
As4 As 0.62722 0.37278 0.04560 1.00000
As5 As 0.66162 0.33838 0.75000 1.00000
As6 As 0.33838 0.66162 0.25000 1.00000
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