Hf6ReSi8
Alexandria ALEXAlex-ID: agm072817138 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_38_spg148
HfSi2 Re4Si7 HfSi
2024-10-07 07:27:02.587304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072817138).
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
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# CIF generated by HEAS from Alexandria entry agm072817138
data_agm072817138
_cell_length_a 6.75261
_cell_length_b 6.75261
_cell_length_c 6.75261
_cell_angle_alpha 68.03244
_cell_angle_beta 68.03244
_cell_angle_gamma 68.03244
_cell_volume 254.81380
_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 0.15890 0.64897 0.41135 1.00000
Hf2 Hf 0.41135 0.15890 0.64897 1.00000
Hf3 Hf 0.64897 0.41135 0.15890 1.00000
Hf4 Hf 0.84110 0.35103 0.58865 1.00000
Hf5 Hf 0.58865 0.84110 0.35103 1.00000
Hf6 Hf 0.35103 0.58865 0.84110 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.27886 0.27886 0.27886 1.00000
Si2 Si 0.72114 0.72114 0.72114 1.00000
Si3 Si 0.86214 0.04465 0.40078 1.00000
Si4 Si 0.40078 0.86214 0.04465 1.00000
Si5 Si 0.04465 0.40078 0.86214 1.00000
Si6 Si 0.13786 0.95535 0.59922 1.00000
Si7 Si 0.59922 0.13786 0.95535 1.00000
Si8 Si 0.95535 0.59922 0.13786 1.00000
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