Nb3Fe7Cu2
Alexandria ALEXAlex-ID: agm024249678 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
NbFe2 Fe Cu
2025-05-16 04:08:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024249678).
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
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# CIF generated by HEAS from Alexandria entry agm024249678
data_agm024249678
_cell_length_a 8.33331
_cell_length_b 8.33331
_cell_length_c 8.33331
_cell_angle_alpha 33.42831
_cell_angle_beta 33.42831
_cell_angle_gamma 33.42831
_cell_volume 156.40070
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.86009 0.86009 0.86009 1.00000
Nb3 Nb 0.13991 0.13991 0.13991 1.00000
Fe1 Fe 0.08192 0.58779 0.58779 1.00000
Fe2 Fe 0.58779 0.58779 0.08192 1.00000
Fe3 Fe 0.50000 0.50000 0.50000 1.00000
Fe4 Fe 0.91808 0.41221 0.41221 1.00000
Fe5 Fe 0.58779 0.08192 0.58779 1.00000
Fe6 Fe 0.41221 0.41221 0.91808 1.00000
Fe7 Fe 0.41221 0.91808 0.41221 1.00000
Cu1 Cu 0.33395 0.33395 0.33395 1.00000
Cu2 Cu 0.66605 0.66605 0.66605 1.00000
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