Ba3Ga6Pd5
Alexandria ALEXAlex-ID: agm005709716 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_15_spg59
Ba(GaPd)2 BaGa2Pd
2023-06-30 10:05:37.067758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709716).
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 agm005709716
data_agm005709716
_cell_length_a 4.40200
_cell_length_b 11.08175
_cell_length_c 13.12381
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 640.20485
_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 0.00000 0.25160 0.65713 1.00000
Ba2 Ba 0.50000 0.74840 0.15713 1.00000
Ba3 Ba 0.50000 0.74840 0.84287 1.00000
Ba4 Ba 0.00000 0.25870 0.00000 1.00000
Ba5 Ba 0.50000 0.74130 0.50000 1.00000
Ba6 Ba 0.00000 0.25160 0.34287 1.00000
Ga1 Ga 0.00000 0.00999 0.82511 1.00000
Ga2 Ga 0.50000 0.99001 0.67489 1.00000
Ga3 Ga 0.50000 0.41477 0.80594 1.00000
Ga4 Ga 0.50000 0.50843 0.00000 1.00000
Ga5 Ga 0.00000 0.49157 0.50000 1.00000
Ga6 Ga 0.00000 0.58523 0.69406 1.00000
Ga7 Ga 0.00000 0.58523 0.30594 1.00000
Ga8 Ga 0.50000 0.02007 0.00000 1.00000
Ga9 Ga 0.00000 0.00999 0.17489 1.00000
Ga10 Ga 0.50000 0.41477 0.19406 1.00000
Ga11 Ga 0.00000 0.97993 0.50000 1.00000
Ga12 Ga 0.50000 0.99001 0.32511 1.00000
Pd1 Pd 0.00000 0.51896 0.88824 1.00000
Pd2 Pd 0.00000 0.85899 0.67320 1.00000
Pd3 Pd 0.00000 0.90852 0.00000 1.00000
Pd4 Pd 0.50000 0.48104 0.61176 1.00000
Pd5 Pd 0.50000 0.09148 0.50000 1.00000
Pd6 Pd 0.00000 0.51896 0.11176 1.00000
Pd7 Pd 0.50000 0.48104 0.38824 1.00000
Pd8 Pd 0.00000 0.85899 0.32680 1.00000
Pd9 Pd 0.50000 0.14101 0.82680 1.00000
Pd10 Pd 0.50000 0.14101 0.17320 1.00000
