Sr2Hf(PdO3)2
Alexandria ALEXAlex-ID: agm004572201 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
Sr2PdO3 SrPd3O4 SrHfO3
2022-06-24 20:06:44.571493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004572201).
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 agm004572201
data_agm004572201
_cell_length_a 6.15752
_cell_length_b 6.15752
_cell_length_c 6.47229
_cell_angle_alpha 61.59613
_cell_angle_beta 61.59613
_cell_angle_gamma 60.00000
_cell_volume 177.59113
_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
Sr1 Sr 0.78894 0.78894 0.63317 1.00000
Sr2 Sr 0.21106 0.21106 0.36683 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.41003 0.41003 0.76991 1.00000
Pd2 Pd 0.58997 0.58997 0.23009 1.00000
O1 O 0.76884 0.76884 0.25624 1.00000
O2 O 0.20607 0.76884 0.25624 1.00000
O3 O 0.76884 0.20607 0.25624 1.00000
O4 O 0.23116 0.79393 0.74376 1.00000
O5 O 0.79393 0.23116 0.74376 1.00000
O6 O 0.23116 0.23116 0.74376 1.00000
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