Sm2UFe3
Alexandria ALEXAlex-ID: agm017750873 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5823_spg14
SmUFe2 Sm Fe
2025-04-15 07:08:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017750873).
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 agm017750873
data_agm017750873
_cell_length_a 5.59240
_cell_length_b 10.83079
_cell_length_c 8.14939
_cell_angle_alpha 90.00000
_cell_angle_beta 105.52321
_cell_angle_gamma 90.00000
_cell_volume 475.60353
_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
Sm1 Sm 0.69569 0.77578 0.77979 1.00000
Sm2 Sm 0.69569 0.72422 0.27979 1.00000
Sm3 Sm 0.80689 0.47057 0.63764 1.00000
Sm4 Sm 0.80689 0.02943 0.13764 1.00000
Sm5 Sm 0.19311 0.97057 0.86236 1.00000
Sm6 Sm 0.19311 0.52943 0.36236 1.00000
Sm7 Sm 0.30431 0.27578 0.72021 1.00000
Sm8 Sm 0.30431 0.22422 0.22021 1.00000
U1 U 0.75560 0.12925 0.53944 1.00000
U2 U 0.75560 0.37075 0.03944 1.00000
U3 U 0.24440 0.62925 0.96056 1.00000
U4 U 0.24440 0.87075 0.46056 1.00000
Fe1 Fe 0.80976 0.57357 0.00563 1.00000
Fe2 Fe 0.80976 0.92643 0.50563 1.00000
Fe3 Fe 0.61470 0.04670 0.74017 1.00000
Fe4 Fe 0.61470 0.45330 0.24017 1.00000
Fe5 Fe 0.85943 0.23197 0.88401 1.00000
Fe6 Fe 0.85943 0.26803 0.38401 1.00000
Fe7 Fe 0.14057 0.73197 0.61599 1.00000
Fe8 Fe 0.14057 0.76803 0.11599 1.00000
Fe9 Fe 0.38530 0.54670 0.75983 1.00000
Fe10 Fe 0.38530 0.95330 0.25983 1.00000
Fe11 Fe 0.19024 0.07357 0.49437 1.00000
Fe12 Fe 0.19024 0.42643 0.99437 1.00000
