GaFe2P
Alexandria ALEXAlex-ID: agm002877321 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Fe2P Ga3Fe FeP
2023-03-26 15:29:54.055405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002877321).
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 agm002877321
data_agm002877321
_cell_length_a 6.47689
_cell_length_b 6.47689
_cell_length_c 5.23873
_cell_angle_alpha 51.81713
_cell_angle_beta 51.81713
_cell_angle_gamma 90.00000
_cell_volume 106.69891
_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
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.25000 0.75000 0.50000 1.00000
Fe1 Fe 0.55967 0.12500 0.25000 1.00000
Fe2 Fe 0.19033 0.62500 0.25000 1.00000
Fe3 Fe 0.37500 0.44033 0.75000 1.00000
Fe4 Fe 0.87500 0.80967 0.75000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.75000 0.25000 0.50000 1.00000
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