UFe2
Alexandria ALEXAlex-ID: agm010215345 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_6405_spg122
U2Fe3 Fe
2024-05-11 06:16:09.112198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010215345).
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 agm010215345
data_agm010215345
_cell_length_a 4.42418
_cell_length_b 4.57955
_cell_length_c 4.57522
_cell_angle_alpha 67.34351
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 85.54415
_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
U1 U 0.25000 0.80278 0.19688 1.00000
U2 U 0.75000 0.19722 0.80312 1.00000
Fe1 Fe 0.75000 0.42660 0.15663 1.00000
Fe2 Fe 0.25000 0.57340 0.84337 1.00000
Fe3 Fe 0.25000 0.15615 0.42623 1.00000
Fe4 Fe 0.75000 0.84385 0.57377 1.00000
Get direct link