Hf4SiGe
Alexandria ALEXAlex-ID: agm003733288 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
Hf2Si Hf2Ge
2022-04-24 17:31:58.300598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733288).
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 agm003733288
data_agm003733288
_cell_length_a 6.35448
_cell_length_b 6.35523
_cell_length_c 7.72816
_cell_angle_alpha 114.29164
_cell_angle_beta 114.28879
_cell_angle_gamma 89.91850
_cell_volume 253.94038
_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 0.99983 0.25398 0.00013 1.00000
Hf2 Hf 0.50033 0.74618 0.00014 1.00000
Hf3 Hf 0.25378 0.49969 0.49986 1.00000
Hf4 Hf 0.74622 0.50031 0.50014 1.00000
Hf5 Hf 0.25395 0.99986 0.50014 1.00000
Hf6 Hf 0.49967 0.25382 0.99986 1.00000
Hf7 Hf 0.74605 0.00014 0.49986 1.00000
Hf8 Hf 0.00017 0.74602 0.99987 1.00000
Si1 Si 0.37500 0.62502 0.25002 1.00000
Si2 Si 0.62500 0.37498 0.74998 1.00000
Ge1 Ge 0.12500 0.87502 0.75002 1.00000
Ge2 Ge 0.87500 0.12498 0.24998 1.00000
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