U2FeSi2
Alexandria ALEXAlex-ID: agm002188643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_979_spg8
UFeSi USi
2023-03-26 19:47:17.218888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002188643).
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 agm002188643
data_agm002188643
_cell_length_a 3.89583
_cell_length_b 5.41193
_cell_length_c 8.72147
_cell_angle_alpha 94.60649
_cell_angle_beta 77.08867
_cell_angle_gamma 68.90158
_cell_volume 164.58566
_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
Si1 Si 0.49216 0.89416 0.12152 1.00000
Si2 Si 0.64848 0.26313 0.44007 1.00000
Si3 Si 0.50784 0.10584 0.87848 1.00000
Si4 Si 0.35152 0.73687 0.55993 1.00000
U1 U 0.22358 0.67212 0.88069 1.00000
U2 U 0.94920 0.38583 0.71607 1.00000
U3 U 0.77642 0.32788 0.11931 1.00000
U4 U 0.05080 0.61417 0.28393 1.00000
Fe1 Fe 0.27823 0.04954 0.39414 1.00000
Fe2 Fe 0.72177 0.95046 0.60586 1.00000
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