NdHfFe10
Alexandria ALEXAlex-ID: agm005598705 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC10_0_spg47
HfFe2 Nd Fe
2023-06-09 05:41:31.665833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005598705).
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 agm005598705
data_agm005598705
_cell_length_a 3.96064
_cell_length_b 4.95397
_cell_length_c 8.57638
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 168.27612
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.34184 1.00000
Fe2 Fe 0.00000 0.50000 0.82235 1.00000
Fe3 Fe 0.00000 0.50000 0.17765 1.00000
Fe4 Fe 0.00000 0.00000 0.65816 1.00000
Fe5 Fe 0.50000 0.00000 0.50000 1.00000
Fe6 Fe 0.50000 0.50000 0.00000 1.00000
Fe7 Fe 0.50000 0.25525 0.26067 1.00000
Fe8 Fe 0.50000 0.74475 0.73933 1.00000
Fe9 Fe 0.50000 0.74475 0.26067 1.00000
Fe10 Fe 0.50000 0.25525 0.73933 1.00000
Get direct link