U3Fe7Cu2
Alexandria ALEXAlex-ID: agm024485744 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_319_spg12
U2Fe3 Fe Cu
2025-05-16 04:56:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024485744).
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 agm024485744
data_agm024485744
_cell_length_a 5.14982
_cell_length_b 4.88789
_cell_length_c 8.44088
_cell_angle_alpha 78.99667
_cell_angle_beta 72.21022
_cell_angle_gamma 58.18111
_cell_volume 171.79218
_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 0.00000 0.00000 0.00000 1.00000
U2 U 0.14095 0.13792 0.58169 1.00000
U3 U 0.85905 0.86208 0.41831 1.00000
Fe1 Fe 0.10249 0.53930 0.75265 1.00000
Fe2 Fe 0.60334 0.54127 0.75322 1.00000
Fe3 Fe 0.61574 0.03517 0.73553 1.00000
Fe4 Fe 0.50000 0.50000 0.50000 1.00000
Fe5 Fe 0.38426 0.96483 0.26447 1.00000
Fe6 Fe 0.39666 0.45873 0.24678 1.00000
Fe7 Fe 0.89751 0.46070 0.24735 1.00000
Cu1 Cu 0.34225 0.31658 0.99812 1.00000
Cu2 Cu 0.65775 0.68342 0.00188 1.00000
Get direct link