Hf3(AsPd)4
Alexandria ALEXAlex-ID: agm009856498 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
As2Pd HfAs2 HfPd3
2024-04-11 22:06:17.647395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009856498).
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 agm009856498
data_agm009856498
_cell_length_a 15.01474
_cell_length_b 15.01474
_cell_length_c 15.01474
_cell_angle_alpha 168.18097
_cell_angle_beta 163.99554
_cell_angle_gamma 19.94178
_cell_volume 191.13411
_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 0.14236 0.14236 0.00000 1.00000
Hf2 Hf 0.85764 0.85764 0.00000 1.00000
Hf3 Hf 0.50000 0.00000 0.50000 1.00000
As1 As 0.68248 0.68248 0.00000 1.00000
As2 As 0.05025 0.55025 0.50000 1.00000
As3 As 0.94975 0.44975 0.50000 1.00000
As4 As 0.31752 0.31752 0.00000 1.00000
Pd1 Pd 0.22791 0.72791 0.50000 1.00000
Pd2 Pd 0.40567 0.40567 0.00000 1.00000
Pd3 Pd 0.59433 0.59433 0.00000 1.00000
Pd4 Pd 0.77209 0.27209 0.50000 1.00000
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