Zn2Fe
Alexandria ALEXAlex-ID: agm010139367 · 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
AB2_1035_spg2
Zn9Fe4 Fe
2024-03-20 23:59:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010139367).
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
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# CIF generated by HEAS from Alexandria entry agm010139367
data_agm010139367
_cell_length_a 4.61805
_cell_length_b 4.61805
_cell_length_c 5.39847
_cell_angle_alpha 73.54700
_cell_angle_beta 73.54700
_cell_angle_gamma 46.80946
_cell_volume 79.84155
_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
Zn1 Zn 0.99974 0.99974 0.23804 1.00000
Zn2 Zn 0.32960 0.32960 0.58946 1.00000
Zn3 Zn 0.67040 0.67040 0.41054 1.00000
Zn4 Zn 0.00026 0.00026 0.76196 1.00000
Fe1 Fe 0.67081 0.67081 0.92958 1.00000
Fe2 Fe 0.32919 0.32919 0.07042 1.00000
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