Hf2SbPd
Alexandria ALEXAlex-ID: agm002878554 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Hf3Pd5 Hf6Sb2Pd HfSb
2023-03-26 14:53:13.384982
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002878554).
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 agm002878554
data_agm002878554
_cell_length_a 7.62266
_cell_length_b 7.62266
_cell_length_c 6.16018
_cell_angle_alpha 51.77846
_cell_angle_beta 51.77846
_cell_angle_gamma 90.00000
_cell_volume 173.29895
_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
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.75000 0.25000 0.50000 1.00000
Hf1 Hf 0.59804 0.12500 0.25000 1.00000
Hf2 Hf 0.15196 0.62500 0.25000 1.00000
Hf3 Hf 0.37500 0.40196 0.75000 1.00000
Hf4 Hf 0.87500 0.84804 0.75000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.25000 0.75000 0.50000 1.00000
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