Mn7Nb3Fe2
Alexandria ALEXAlex-ID: agm024480852 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
Mn3Nb2Fe MnNbFe4 Mn
2025-05-17 02:04:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024480852).
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 agm024480852
data_agm024480852
_cell_length_a 8.35462
_cell_length_b 8.35462
_cell_length_c 8.35462
_cell_angle_alpha 32.94729
_cell_angle_beta 32.94729
_cell_angle_gamma 32.94729
_cell_volume 153.48906
_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 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.07232 0.58883 0.58883 1.00000
Mn3 Mn 0.58883 0.58883 0.07232 1.00000
Mn4 Mn 0.58883 0.07232 0.58883 1.00000
Mn5 Mn 0.92768 0.41117 0.41117 1.00000
Mn6 Mn 0.41117 0.92768 0.41117 1.00000
Mn7 Mn 0.41117 0.41117 0.92768 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.14025 0.14025 0.14025 1.00000
Nb3 Nb 0.85975 0.85975 0.85975 1.00000
Fe1 Fe 0.33695 0.33695 0.33695 1.00000
Fe2 Fe 0.66305 0.66305 0.66305 1.00000
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