Hf3(AlPd)2
Alexandria ALEXAlex-ID: agm009769441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1615_spg12
Hf2Al3Pd HfAlPd Hf2Pd
2024-03-02 21:37:05.138461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009769441).
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 agm009769441
data_agm009769441
_cell_length_a 5.44215
_cell_length_b 5.44215
_cell_length_c 7.46413
_cell_angle_alpha 82.88052
_cell_angle_beta 82.88052
_cell_angle_gamma 35.44127
_cell_volume 127.09874
_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 0.50000 0.50000 0.50000 1.00000
Hf2 Hf 0.63078 0.63078 0.07308 1.00000
Hf3 Hf 0.36922 0.36922 0.92692 1.00000
Al1 Al 0.88888 0.88888 0.23614 1.00000
Al2 Al 0.11112 0.11112 0.76386 1.00000
Pd1 Pd 0.79895 0.79895 0.63932 1.00000
Pd2 Pd 0.20105 0.20105 0.36068 1.00000
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