Hf6Fe5Rh
Alexandria ALEXAlex-ID: agm006114739 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
HfFe HfRh
2023-09-16 20:11:48.175408
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114739).
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 agm006114739
data_agm006114739
_cell_length_a 4.46549
_cell_length_b 6.35022
_cell_length_c 7.73416
_cell_angle_alpha 114.23946
_cell_angle_beta 106.78806
_cell_angle_gamma 89.99870
_cell_volume 189.68379
_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 0.16946 0.42296 0.33896 1.00000
Hf2 Hf 0.16946 0.91598 0.33896 1.00000
Hf3 Hf 0.50000 0.25705 1.00000 1.00000
Hf4 Hf 0.50000 0.74295 0.00000 1.00000
Hf5 Hf 0.83054 0.08402 0.66104 1.00000
Hf6 Hf 0.83054 0.57704 0.66104 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.33326 0.83321 0.66628 1.00000
Fe2 Fe 0.66620 0.66608 0.33229 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Fe4 Fe 0.33380 0.33392 0.66771 1.00000
Fe5 Fe 0.66674 0.16679 0.33372 1.00000
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