GaPdO3
Alexandria ALEXAlex-ID: agm002302792 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_20_spg148
Ga2O3 Pd2O3
2019-01-09 02:55:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302792).
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
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# CIF generated by HEAS from Alexandria entry agm002302792
data_agm002302792
_cell_length_a 5.12754
_cell_length_b 5.31869
_cell_length_c 5.78513
_cell_angle_alpha 58.99724
_cell_angle_beta 61.22137
_cell_angle_gamma 59.70387
_cell_volume 111.40709
_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
O1 O 0.23469 0.55881 0.27829 1.00000
O2 O 0.94621 0.24474 0.26285 1.00000
O3 O 0.54536 0.96538 0.26386 1.00000
O4 O 0.45464 0.03462 0.73614 1.00000
O5 O 0.05379 0.75526 0.73715 1.00000
O6 O 0.76531 0.44119 0.72171 1.00000
Ga1 Ga 0.85530 0.85383 0.43610 1.00000
Ga2 Ga 0.14470 0.14617 0.56390 1.00000
Pd1 Pd 0.64926 0.65226 0.04233 1.00000
Pd2 Pd 0.35074 0.34774 0.95767 1.00000
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