Mg2Fe
Alexandria ALEXAlex-ID: agm002159683 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_380_spg140
Fe Mg
2018-05-24 15:21:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002159683).
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 agm002159683
data_agm002159683
_cell_length_a 5.22399
_cell_length_b 5.22399
_cell_length_c 5.22399
_cell_angle_alpha 101.63747
_cell_angle_beta 101.63747
_cell_angle_gamma 126.62414
_cell_volume 102.22683
_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
Mg1 Mg 0.16713 0.66713 0.83425 1.00000
Mg2 Mg 0.33287 0.16713 0.50000 1.00000
Mg3 Mg 0.83287 0.33287 0.16575 1.00000
Mg4 Mg 0.66713 0.83287 0.50000 1.00000
Fe1 Fe 0.25000 0.25000 0.00000 1.00000
Fe2 Fe 0.75000 0.75000 0.00000 1.00000
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