Nb4FeRu
Alexandria ALEXAlex-ID: agm003750992 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Nb3Ru Nb5Ru Nb6Fe7
2022-04-18 11:07:57.514086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750992).
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 agm003750992
data_agm003750992
_cell_length_a 4.27779
_cell_length_b 4.28020
_cell_length_c 6.10039
_cell_angle_alpha 89.83370
_cell_angle_beta 89.91061
_cell_angle_gamma 89.99978
_cell_volume 111.69614
_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 0.50112 0.99664 0.25729 1.00000
Nb2 Nb 0.50148 0.99795 0.73900 1.00000
Nb3 Nb 0.00164 0.49766 0.73896 1.00000
Nb4 Nb 0.00095 0.49692 0.25735 1.00000
Fe1 Fe 0.00132 0.99724 0.49803 1.00000
Ru1 Ru 0.50128 0.49731 0.99821 1.00000
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