Zr3(AlPd)4
Alexandria ALEXAlex-ID: agm009613635 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_137_spg12
ZrAlPd AlPd
2024-03-10 01:47:50.897912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009613635).
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 agm009613635
data_agm009613635
_cell_length_a 13.76453
_cell_length_b 13.76453
_cell_length_c 13.76453
_cell_angle_alpha 166.65112
_cell_angle_beta 161.39294
_cell_angle_gamma 22.96970
_cell_volume 192.08121
_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
Zr1 Zr 0.64135 0.64135 0.00000 1.00000
Zr2 Zr 0.35865 0.35865 0.00000 1.00000
Zr3 Zr 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.18956 0.18956 0.00000 1.00000
Al2 Al 0.54810 0.04810 0.50000 1.00000
Al3 Al 0.45190 0.95190 0.50000 1.00000
Al4 Al 0.81044 0.81044 0.00000 1.00000
Pd1 Pd 0.73574 0.23574 0.50000 1.00000
Pd2 Pd 0.90484 0.90484 0.00000 1.00000
Pd3 Pd 0.09516 0.09516 0.00000 1.00000
Pd4 Pd 0.26426 0.76426 0.50000 1.00000
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