Ho2AlP3Pd7
Alexandria ALEXAlex-ID: agm020077795 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
HoPPd AlPPd5
2024-10-26 09:23:14.726215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020077795).
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 agm020077795
data_agm020077795
_cell_length_a 13.57118
_cell_length_b 13.57118
_cell_length_c 13.57118
_cell_angle_alpha 162.79707
_cell_angle_beta 162.79707
_cell_angle_gamma 24.42179
_cell_volume 218.57904
_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
Ho1 Ho 0.08530 0.58530 0.50000 1.00000
Ho2 Ho 0.41470 0.91470 0.50000 1.00000
Al1 Al 0.25000 0.75000 0.50000 1.00000
P1 P 0.87112 0.37112 0.50000 1.00000
P2 P 0.62888 0.12888 0.50000 1.00000
P3 P 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.82265 0.82265 0.00000 1.00000
Pd2 Pd 0.32189 0.32189 0.00000 1.00000
Pd3 Pd 0.67811 0.67811 0.00000 1.00000
Pd4 Pd 0.17735 0.17735 0.00000 1.00000
Pd5 Pd 0.95932 0.45932 0.50000 1.00000
Pd6 Pd 0.54068 0.04068 0.50000 1.00000
Pd7 Pd 0.75000 0.25000 0.50000 1.00000
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