Fe6NiPd12
Alexandria ALEXAlex-ID: agm006119600 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_30_spg148
Fe2NiPd6 FeNi3 FePd2
2023-08-25 17:50:53.572871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006119600).
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 agm006119600
data_agm006119600
_cell_length_a 6.68817
_cell_length_b 7.21940
_cell_length_c 7.21940
_cell_angle_alpha 69.08645
_cell_angle_beta 72.01276
_cell_angle_gamma 107.98725
_cell_volume 273.09605
_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 0.41546 0.47375 0.21755 1.00000
Fe2 Fe 0.05829 0.69130 0.52625 1.00000
Fe3 Fe 0.36699 0.78245 0.69130 1.00000
Fe4 Fe 0.58454 0.52625 0.78245 1.00000
Fe5 Fe 0.94171 0.30870 0.47375 1.00000
Fe6 Fe 0.63301 0.21755 0.30870 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.52490 0.84998 0.27015 1.00000
Pd2 Pd 0.67493 0.87987 0.84998 1.00000
Pd3 Pd 0.79505 0.27015 0.87987 1.00000
Pd4 Pd 0.47510 0.15002 0.72985 1.00000
Pd5 Pd 0.32507 0.12013 0.15002 1.00000
Pd6 Pd 0.20495 0.72985 0.12013 1.00000
Pd7 Pd 0.26069 0.42414 0.62687 1.00000
Pd8 Pd 0.11244 0.37313 0.05101 1.00000
Pd9 Pd 0.16345 0.05101 0.57586 1.00000
Pd10 Pd 0.73931 0.57586 0.37313 1.00000
Pd11 Pd 0.88756 0.62687 0.94899 1.00000
Pd12 Pd 0.83655 0.94899 0.42414 1.00000
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