AlHPd3
Alexandria ALEXAlex-ID: agm003069293 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1151_spg51
AlHPd3
2016-01-27 07:16:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003069293).
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 agm003069293
data_agm003069293
_cell_length_a 18.34353
_cell_length_b 5.38839
_cell_length_c 7.21687
_cell_angle_alpha 90.00000
_cell_angle_beta 158.55555
_cell_angle_gamma 90.00000
_cell_volume 260.79299
_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
H1 H 0.11509 0.25002 0.61037 1.00000
H2 H 0.88491 0.74998 0.38963 1.00000
H3 H 0.38491 0.75002 0.88963 1.00000
H4 H 0.61509 0.24998 0.11037 1.00000
Al1 Al 0.40781 0.75016 0.40857 1.00000
Al2 Al 0.59219 0.24984 0.59143 1.00000
Al3 Al 0.09219 0.25016 0.09143 1.00000
Al4 Al 0.90781 0.74984 0.90857 1.00000
Pd1 Pd 0.24994 0.99999 0.74982 1.00000
Pd2 Pd 0.75006 0.00001 0.25018 1.00000
Pd3 Pd 0.25006 0.49999 0.75018 1.00000
Pd4 Pd 0.74994 0.50001 0.24982 1.00000
Pd5 Pd 0.37471 0.24996 0.37422 1.00000
Pd6 Pd 0.62529 0.75004 0.62578 1.00000
Pd7 Pd 0.12529 0.74996 0.12578 1.00000
Pd8 Pd 0.87471 0.25004 0.87422 1.00000
Pd9 Pd 0.53684 0.75000 0.03786 1.00000
Pd10 Pd 0.46316 0.25000 0.96214 1.00000
Pd11 Pd 0.96316 0.25000 0.46214 1.00000
Pd12 Pd 0.03684 0.75000 0.53786 1.00000
