Hf6Ga3Rh
Alexandria ALEXAlex-ID: agm003580353 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_18_spg14
Hf5Ga3 HfRh
2022-03-29 06:06:29.103988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003580353).
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 agm003580353
data_agm003580353
_cell_length_a 5.39804
_cell_length_b 7.72849
_cell_length_c 9.73739
_cell_angle_alpha 90.00000
_cell_angle_beta 88.62702
_cell_angle_gamma 90.00000
_cell_volume 406.11436
_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 0.58955 0.16976 0.92848 1.00000
Hf2 Hf 0.59005 0.17631 0.57135 1.00000
Hf3 Hf 0.64539 0.46415 0.25405 1.00000
Hf4 Hf 0.35461 0.53585 0.74595 1.00000
Hf5 Hf 0.40995 0.82369 0.42865 1.00000
Hf6 Hf 0.41045 0.83024 0.07152 1.00000
Hf7 Hf 0.08955 0.33024 0.42848 1.00000
Hf8 Hf 0.09005 0.32369 0.07135 1.00000
Hf9 Hf 0.14539 0.03585 0.75405 1.00000
Hf10 Hf 0.85461 0.96415 0.24595 1.00000
Hf11 Hf 0.90995 0.67631 0.92865 1.00000
Hf12 Hf 0.91045 0.66976 0.57152 1.00000
Ga1 Ga 0.60724 0.87469 0.74472 1.00000
Ga2 Ga 0.50000 0.50000 0.00000 1.00000
Ga3 Ga 0.39276 0.12531 0.25528 1.00000
Ga4 Ga 0.10724 0.62531 0.24472 1.00000
Ga5 Ga 0.00000 0.00000 0.50000 1.00000
Ga6 Ga 0.89276 0.37469 0.75528 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
