Mn2Ga3Fe4
Alexandria ALEXAlex-ID: agm005658134 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_694_spg15
GaFe3 Ga3Fe Mn
2023-06-27 11:37:08.579011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658134).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005658134
data_agm005658134
_cell_length_a 4.77788
_cell_length_b 7.22617
_cell_length_c 7.22617
_cell_angle_alpha 102.80130
_cell_angle_beta 96.46304
_cell_angle_gamma 96.46304
_cell_volume 239.29548
_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 0.67199 0.54908 0.16190 1.00000
Mn2 Mn 0.82801 0.83810 0.45092 1.00000
Mn3 Mn 0.32801 0.45092 0.83810 1.00000
Mn4 Mn 0.17199 0.16190 0.54908 1.00000
Ga1 Ga 0.03792 0.31178 0.06148 1.00000
Ga2 Ga 0.46208 0.93852 0.68822 1.00000
Ga3 Ga 0.96208 0.68822 0.93852 1.00000
Ga4 Ga 0.53792 0.06148 0.31178 1.00000
Ga5 Ga 0.75000 0.29706 0.70294 1.00000
Ga6 Ga 0.25000 0.70294 0.29706 1.00000
Fe1 Fe 0.50474 0.18107 0.00435 1.00000
Fe2 Fe 0.99526 0.99565 0.81893 1.00000
Fe3 Fe 0.49526 0.81893 0.99565 1.00000
Fe4 Fe 0.00474 0.00435 0.18107 1.00000
Fe5 Fe 0.87755 0.36440 0.38227 1.00000
Fe6 Fe 0.62245 0.61773 0.63560 1.00000
Fe7 Fe 0.12245 0.63560 0.61773 1.00000
Fe8 Fe 0.37755 0.38227 0.36440 1.00000
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