Fe5(Ni6Ir)2
Alexandria ALEXAlex-ID: agm003370487 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_27_spg12
Fe3Ir8 FeNi3 FeIr
2022-02-06 21:39:03.207514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370487).
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 agm003370487
data_agm003370487
_cell_length_a 4.93269
_cell_length_b 7.29281
_cell_length_c 7.48804
_cell_angle_alpha 104.86427
_cell_angle_beta 90.00000
_cell_angle_gamma 109.76654
_cell_volume 243.89656
_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 0.28679 0.57357 0.59221 1.00000
Fe2 Fe 0.36909 0.73819 0.11918 1.00000
Fe3 Fe 0.00000 0.00000 0.50000 1.00000
Fe4 Fe 0.63091 0.26181 0.88082 1.00000
Fe5 Fe 0.71321 0.42643 0.40779 1.00000
Ni1 Ni 0.11141 0.22281 0.30813 1.00000
Ni2 Ni 0.02941 0.58307 0.86997 1.00000
Ni3 Ni 0.55366 0.58307 0.86997 1.00000
Ni4 Ni 0.11268 0.71560 0.38289 1.00000
Ni5 Ni 0.60291 0.71560 0.38289 1.00000
Ni6 Ni 0.47418 0.94835 0.65475 1.00000
Ni7 Ni 0.52582 0.05165 0.34525 1.00000
Ni8 Ni 0.88732 0.28440 0.61711 1.00000
Ni9 Ni 0.39709 0.28440 0.61711 1.00000
Ni10 Ni 0.97059 0.41693 0.13003 1.00000
Ni11 Ni 0.44634 0.41693 0.13003 1.00000
Ni12 Ni 0.88859 0.77719 0.69187 1.00000
Ir1 Ir 0.75602 0.00000 0.00000 1.00000
Ir2 Ir 0.24398 1.00000 1.00000 1.00000
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