U3(FeSi3)4
Alexandria ALEXAlex-ID: agm008276563 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C12_35_spg64
U2Fe3Si5 FeSi2 USi3
2024-07-13 16:16:49.239905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008276563).
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 agm008276563
data_agm008276563
_cell_length_a 9.69985
_cell_length_b 9.69985
_cell_length_c 7.96476
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 131.57057
_cell_volume 560.64122
_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 0.50000 0.50000 0.50000 1.00000
U2 U 0.00000 0.00000 0.00000 1.00000
U3 U 0.50417 0.00417 0.75000 1.00000
U4 U 0.99583 0.49583 0.25000 1.00000
U5 U 0.49583 0.99583 0.25000 1.00000
U6 U 0.00417 0.50417 0.75000 1.00000
Fe1 Fe 0.65584 0.34416 0.50000 1.00000
Fe2 Fe 0.15584 0.84416 0.00000 1.00000
Fe3 Fe 0.34416 0.65584 0.50000 1.00000
Fe4 Fe 0.84416 0.15584 0.00000 1.00000
Fe5 Fe 0.12713 0.12713 0.62591 1.00000
Fe6 Fe 0.87287 0.87287 0.37409 1.00000
Fe7 Fe 0.37287 0.37287 0.12591 1.00000
Fe8 Fe 0.62713 0.62713 0.87409 1.00000
Si1 Si 0.78329 0.21671 0.50000 1.00000
Si2 Si 0.28329 0.71671 0.00000 1.00000
Si3 Si 0.21671 0.78329 0.50000 1.00000
Si4 Si 0.71671 0.28329 0.00000 1.00000
Si5 Si 0.33338 0.33338 0.83234 1.00000
Si6 Si 0.66662 0.66662 0.16766 1.00000
Si7 Si 0.16662 0.16662 0.33234 1.00000
Si8 Si 0.83338 0.83338 0.66766 1.00000
Si9 Si 0.12993 0.89307 0.72918 1.00000
Si10 Si 0.10693 0.87007 0.27082 1.00000
Si11 Si 0.60693 0.37007 0.22918 1.00000
Si12 Si 0.62993 0.39307 0.77082 1.00000
Si13 Si 0.87007 0.10693 0.27082 1.00000
Si14 Si 0.89307 0.12993 0.72918 1.00000
Si15 Si 0.39307 0.62993 0.77082 1.00000
Si16 Si 0.37007 0.60693 0.22918 1.00000
Si17 Si 0.34743 0.11046 0.50839 1.00000
Si18 Si 0.88954 0.65257 0.49161 1.00000
Si19 Si 0.38954 0.15257 0.00839 1.00000
Si20 Si 0.84743 0.61046 0.99161 1.00000
Si21 Si 0.65257 0.88954 0.49161 1.00000
Si22 Si 0.11046 0.34743 0.50839 1.00000
Si23 Si 0.61046 0.84743 0.99161 1.00000
Si24 Si 0.15257 0.38954 0.00839 1.00000
