Na3ZnPd3O8
Alexandria ALEXAlex-ID: agm059477710 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_88_spg12
Na2Zn(PdO3)2 Na2PdO3 NaPd3O4
2025-01-15 21:35:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059477710).
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 agm059477710
data_agm059477710
_cell_length_a 6.25910
_cell_length_b 6.25910
_cell_length_c 6.50833
_cell_angle_alpha 61.16849
_cell_angle_beta 118.83151
_cell_angle_gamma 119.04925
_cell_volume 184.73884
_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
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.00000 0.50000 0.00000 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
Pd3 Pd 0.00000 0.50000 0.50000 1.00000
O1 O 0.73860 0.26140 0.69553 1.00000
O2 O 0.74380 0.78262 0.69353 1.00000
O3 O 0.22804 0.77196 0.70143 1.00000
O4 O 0.21738 0.25620 0.69353 1.00000
O5 O 0.78262 0.74380 0.30647 1.00000
O6 O 0.77196 0.22804 0.29857 1.00000
O7 O 0.25620 0.21738 0.30647 1.00000
O8 O 0.26140 0.73860 0.30447 1.00000
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