Fe5Cu2Ni5
Alexandria ALEXAlex-ID: agm005666012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Cu FeNi
2023-06-18 22:59:50.728041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666012).
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 agm005666012
data_agm005666012
_cell_length_a 3.54820
_cell_length_b 7.65029
_cell_length_c 5.64076
_cell_angle_alpha 98.46675
_cell_angle_beta 71.66850
_cell_angle_gamma 76.59106
_cell_volume 137.30648
_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
Fe1 Fe 0.67153 0.24570 0.41124 1.00000
Fe2 Fe 0.00359 0.24486 0.74796 1.00000
Fe3 Fe 0.99641 0.75514 0.25204 1.00000
Fe4 Fe 0.32847 0.75430 0.58876 1.00000
Fe5 Fe 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.33421 0.49960 0.83198 1.00000
Cu2 Cu 0.66579 0.50040 0.16802 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.66512 0.75277 0.91699 1.00000
Ni3 Ni 0.33384 0.99907 0.33325 1.00000
Ni4 Ni 0.66616 0.00093 0.66675 1.00000
Ni5 Ni 0.33488 0.24723 0.08301 1.00000
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