Al2Ni3Pd
Alexandria ALEXAlex-ID: agm005662499 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_62_spg141
Al3Ni5 Al5Ni11 AlPd2
2023-08-07 03:21:15.838880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662499).
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 agm005662499
data_agm005662499
_cell_length_a 7.79589
_cell_length_b 7.79589
_cell_length_c 7.52446
_cell_angle_alpha 121.20062
_cell_angle_beta 121.20061
_cell_angle_gamma 89.99999
_cell_volume 311.26239
_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
Al1 Al 0.89594 0.71350 0.79189 1.00000
Al2 Al 0.35406 0.67161 0.70811 1.00000
Al3 Al 0.28650 0.10406 0.20811 1.00000
Al4 Al 0.32839 0.64594 0.29189 1.00000
Al5 Al 0.92161 0.10406 0.20811 1.00000
Al6 Al 0.96350 0.64594 0.29189 1.00000
Al7 Al 0.35406 0.03650 0.70811 1.00000
Al8 Al 0.89594 0.07839 0.79189 1.00000
Ni1 Ni 0.28347 0.71653 1.00000 1.00000
Ni2 Ni 0.12500 0.87500 0.25000 1.00000
Ni3 Ni 0.12500 0.37500 0.25000 1.00000
Ni4 Ni 0.71653 0.71653 0.00000 1.00000
Ni5 Ni 0.71653 0.28347 0.00000 1.00000
Ni6 Ni 0.96653 0.46653 0.50000 1.00000
Ni7 Ni 0.62500 0.87500 0.75000 1.00000
Ni8 Ni 0.12500 0.87500 0.75000 1.00000
Ni9 Ni 0.53347 0.03347 0.50000 1.00000
Ni10 Ni 0.53347 0.46653 0.50000 1.00000
Ni11 Ni 0.28347 0.28347 1.00000 1.00000
Ni12 Ni 0.96653 0.03347 0.50000 1.00000
Pd1 Pd 0.32822 0.32822 0.65644 1.00000
Pd2 Pd 0.67178 0.67178 0.34356 1.00000
Pd3 Pd 0.57822 0.07822 0.15644 1.00000
Pd4 Pd 0.92178 0.42178 0.84356 1.00000
