Ba2Ga4Pd5
Alexandria ALEXAlex-ID: agm005653064 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Ba(GaPd)2 BaGa2Pd3
2023-06-21 14:04:17.350614
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653064).
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 agm005653064
data_agm005653064
_cell_length_a 5.92423
_cell_length_b 6.00021
_cell_length_c 8.16409
_cell_angle_alpha 79.68182
_cell_angle_beta 68.72635
_cell_angle_gamma 60.41795
_cell_volume 235.17999
_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
Ba1 Ba 0.86520 0.00000 0.26960 1.00000
Ba2 Ba 0.13480 1.00000 0.73040 1.00000
Ga1 Ga 0.78884 0.67772 0.74460 1.00000
Ga2 Ga 0.21116 0.32228 0.25540 1.00000
Ga3 Ga 0.53344 0.67772 0.25540 1.00000
Ga4 Ga 0.46656 0.32228 0.74460 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.00000 1.00000
Pd3 Pd 0.50000 0.50000 0.00000 1.00000
Pd4 Pd 0.25000 0.50000 0.50000 1.00000
Pd5 Pd 0.75000 0.50000 0.50000 1.00000
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