Hf2Fe2Ni3
Alexandria ALEXAlex-ID: agm010123931 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_30_spg166
HfFe2 HfNi3
2024-07-09 07:41:55.270575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010123931).
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 agm010123931
data_agm010123931
_cell_length_a 4.79353
_cell_length_b 4.79353
_cell_length_c 6.59954
_cell_angle_alpha 87.47607
_cell_angle_beta 87.47607
_cell_angle_gamma 40.29286
_cell_volume 97.95927
_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
Hf1 Hf 0.58160 0.58160 0.28576 1.00000
Hf2 Hf 0.41840 0.41840 0.71424 1.00000
Fe1 Fe 0.70720 0.70720 0.88277 1.00000
Fe2 Fe 0.29280 0.29280 0.11723 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.86140 0.86140 0.40664 1.00000
Ni3 Ni 0.13860 0.13860 0.59336 1.00000
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