Fe(Ni4Sn3)2
Alexandria ALEXAlex-ID: agm072987503 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_786_spg12
Ni3Sn2 Ni6Sn5 Fe
2024-10-06 01:12:30.878061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072987503).
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 agm072987503
data_agm072987503
_cell_length_a 6.95715
_cell_length_b 6.95715
_cell_length_c 6.37082
_cell_angle_alpha 82.74885
_cell_angle_beta 82.74885
_cell_angle_gamma 125.29168
_cell_volume 242.00801
_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 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.25772 0.46102 0.38205 1.00000
Ni2 Ni 0.74228 0.53898 0.61795 1.00000
Ni3 Ni 0.78176 0.99048 0.86242 1.00000
Ni4 Ni 0.46102 0.25772 0.38205 1.00000
Ni5 Ni 0.00952 0.21824 0.13758 1.00000
Ni6 Ni 0.21824 0.00952 0.13758 1.00000
Ni7 Ni 0.53898 0.74228 0.61795 1.00000
Ni8 Ni 0.99048 0.78176 0.86242 1.00000
Sn1 Sn 0.78022 0.21978 0.50000 1.00000
Sn2 Sn 0.27254 0.27254 0.77261 1.00000
Sn3 Sn 0.29464 0.70536 0.00000 1.00000
Sn4 Sn 0.21978 0.78022 0.50000 1.00000
Sn5 Sn 0.72746 0.72746 0.22739 1.00000
Sn6 Sn 0.70536 0.29464 0.00000 1.00000
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