Ga4Fe5Co7
Alexandria ALEXAlex-ID: agm008564956 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C7_1_spg160
GaFe3 GaFeCo2
2024-12-26 12:45:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564956).
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 agm008564956
data_agm008564956
_cell_length_a 13.41234
_cell_length_b 13.41234
_cell_length_c 13.41234
_cell_angle_alpha 17.32901
_cell_angle_beta 17.32901
_cell_angle_gamma 17.32901
_cell_volume 186.79302
_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
Ga1 Ga 0.68763 0.68763 0.68763 1.00000
Ga2 Ga 0.43757 0.43757 0.43757 1.00000
Ga3 Ga 0.18752 0.18752 0.18752 1.00000
Ga4 Ga 0.93760 0.93760 0.93760 1.00000
Fe1 Fe 0.56273 0.56273 0.56273 1.00000
Fe2 Fe 0.31227 0.31227 0.31227 1.00000
Fe3 Fe 0.06251 0.06251 0.06251 1.00000
Fe4 Fe 0.81268 0.81268 0.81268 1.00000
Fe5 Fe 0.25004 0.25004 0.25004 1.00000
Co1 Co 0.87484 0.87484 0.87484 1.00000
Co2 Co 0.62536 0.62536 0.62536 1.00000
Co3 Co 0.37531 0.37531 0.37531 1.00000
Co4 Co 0.12507 0.12507 0.12507 1.00000
Co5 Co 0.00027 0.00027 0.00027 1.00000
Co6 Co 0.75003 0.75003 0.75003 1.00000
Co7 Co 0.49979 0.49979 0.49979 1.00000
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