Mn2Al5GaFe
Alexandria ALEXAlex-ID: agm005178504 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_40_spg71
MnAl MnGa4 Mn4Al11 Al2Fe
2023-01-06 13:23:01.061971
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178504).
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 agm005178504
data_agm005178504
_cell_length_a 4.37019
_cell_length_b 5.82259
_cell_length_c 7.18187
_cell_angle_alpha 113.91414
_cell_angle_beta 107.71314
_cell_angle_gamma 90.00000
_cell_volume 157.53642
_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
Mn1 Mn 0.19226 0.19226 0.38452 1.00000
Mn2 Mn 0.80774 0.80774 0.61548 1.00000
Al1 Al 0.64885 0.89451 0.29770 1.00000
Al2 Al 0.35115 0.10549 0.70230 1.00000
Al3 Al 0.35115 0.59682 0.70230 1.00000
Al4 Al 0.64885 0.40318 0.29770 1.00000
Al5 Al 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.00000 0.50000 0.00000 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
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