Nb8FeCo3
Alexandria ALEXAlex-ID: agm014339557 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_253_spg65
Nb6Fe7 Nb2Co Nb
2025-01-14 12:28:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014339557).
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 agm014339557
data_agm014339557
_cell_length_a 5.01320
_cell_length_b 5.01320
_cell_length_c 7.91486
_cell_angle_alpha 81.35639
_cell_angle_beta 98.64361
_cell_angle_gamma 104.71701
_cell_volume 188.89473
_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 0.29012 0.70194 0.95551 1.00000
Nb2 Nb 0.19918 0.78919 0.54514 1.00000
Nb3 Nb 0.12692 0.21901 0.79445 1.00000
Nb4 Nb 0.21901 0.12692 0.20555 1.00000
Nb5 Nb 0.63126 0.71705 0.29495 1.00000
Nb6 Nb 0.71705 0.63126 0.70505 1.00000
Nb7 Nb 0.78919 0.19918 0.45486 1.00000
Nb8 Nb 0.70194 0.29012 0.04449 1.00000
Fe1 Fe 0.83611 0.83611 0.00000 1.00000
Co1 Co 0.08661 0.58199 0.25100 1.00000
Co2 Co 0.33361 0.33361 0.50000 1.00000
Co3 Co 0.58199 0.08661 0.74900 1.00000
Get direct link