Na5Fe2Ni(PdO5)2
Alexandria ALEXAlex-ID: agm010770710 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5E10_2_spg1
Na5FeNi2(PdO5)2 Na2PdO3 NaPd3O4 NaFeO2
2025-01-26 18:13:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010770710).
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 agm010770710
data_agm010770710
_cell_length_a 5.34175
_cell_length_b 6.47479
_cell_length_c 7.14343
_cell_angle_alpha 106.05511
_cell_angle_beta 96.86227
_cell_angle_gamma 105.17976
_cell_volume 224.18833
_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 0.19035 0.89130 0.39602 1.00000
Na2 Na 0.99706 0.49852 0.99525 1.00000
Na3 Na 0.80186 0.09928 0.60331 1.00000
Na4 Na 0.60451 0.70334 0.20153 1.00000
Na5 Na 0.40496 0.30651 0.80485 1.00000
Fe1 Fe 0.20062 0.39206 0.39977 1.00000
Fe2 Fe 0.39912 0.80744 0.79963 1.00000
Ni1 Ni 0.00298 0.00313 0.99743 1.00000
Pd1 Pd 0.59524 0.19413 0.19761 1.00000
Pd2 Pd 0.80180 0.60337 0.60288 1.00000
O1 O 0.47886 0.24896 0.46725 1.00000
O2 O 0.31642 0.87963 0.08152 1.00000
O3 O 0.11407 0.48403 0.68472 1.00000
O4 O 0.90237 0.08185 0.28544 1.00000
O5 O 0.70498 0.68163 0.87901 1.00000
O6 O 0.88599 0.50928 0.31647 1.00000
O7 O 0.69148 0.12642 0.92175 1.00000
O8 O 0.48632 0.71630 0.51742 1.00000
O9 O 0.29905 0.32876 0.12586 1.00000
O10 O 0.12195 0.94403 0.72228 1.00000
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