ZnGaFe
Alexandria ALEXAlex-ID: agm069486232 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_710_spg1
Zn13Fe GaFe3 Ga3Fe
2025-04-15 17:35:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069486232).
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
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# CIF generated by HEAS from Alexandria entry agm069486232
data_agm069486232
_cell_length_a 4.97109
_cell_length_b 4.97109
_cell_length_c 4.96790
_cell_angle_alpha 117.31465
_cell_angle_beta 105.41049
_cell_angle_gamma 106.01303
_cell_volume 93.12790
_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 0.49887 0.99890 0.49990 1.00000
Zn2 Zn 0.99900 0.99897 0.00010 1.00000
Ga1 Ga 0.99885 0.49890 0.50011 1.00000
Ga2 Ga 0.49879 0.49873 0.99989 1.00000
Fe1 Fe 0.99880 0.99877 0.49992 1.00000
Fe2 Fe 0.99885 0.49888 0.00008 1.00000
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