Pa2Ga3Pd
Alexandria ALEXAlex-ID: agm032160575 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
Pa7Ga PaGaPd PaGa3
2025-04-13 16:00:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032160575).
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 agm032160575
data_agm032160575
_cell_length_a 5.31565
_cell_length_b 5.31565
_cell_length_c 5.31493
_cell_angle_alpha 64.34538
_cell_angle_beta 115.65462
_cell_angle_gamma 115.64083
_cell_volume 116.33689
_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
Pa1 Pa 0.60735 0.39265 0.39261 1.00000
Pa2 Pa 0.39265 0.60735 0.60739 1.00000
Ga1 Ga 0.00000 0.50000 0.00000 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
Ga3 Ga 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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