PrUGa4Fe3
Alexandria ALEXAlex-ID: agm085779035 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4_218_spg191
U(GaFe)6 U2Ga2Fe3 PrGa2 GaFe3
2025-02-23 01:50:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm085779035).
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 agm085779035
data_agm085779035
_cell_length_a 4.91905
_cell_length_b 7.91978
_cell_length_c 4.91904
_cell_angle_alpha 90.00000
_cell_angle_beta 120.00185
_cell_angle_gamma 90.00000
_cell_volume 165.95764
_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
Pr1 Pr 0.99984 0.00000 0.99975 1.00000
U1 U 0.00004 0.50000 0.00001 1.00000
Ga1 Ga 0.33325 0.22557 0.66650 1.00000
Ga2 Ga 0.66656 0.77443 0.33318 1.00000
Ga3 Ga 0.66656 0.22557 0.33318 1.00000
Ga4 Ga 0.33325 0.77443 0.66650 1.00000
Fe1 Fe 0.99999 0.50000 0.44182 1.00000
Fe2 Fe 0.55822 0.50000 0.55819 1.00000
Fe3 Fe 0.44184 0.50000 0.99996 1.00000
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