K2PdO4
Alexandria ALEXAlex-ID: agm005258053 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1806_spg1
K4(PdO2)3 K3Pd3O8 K2O3
2023-05-06 22:29:36.836167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258053).
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 agm005258053
data_agm005258053
_cell_length_a 5.98149
_cell_length_b 6.75657
_cell_length_c 7.10717
_cell_angle_alpha 86.71477
_cell_angle_beta 68.78374
_cell_angle_gamma 85.38975
_cell_volume 266.77391
_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
K1 K 0.80065 0.08218 0.55685 1.00000
K2 K 0.20755 0.58083 0.44143 1.00000
K3 K 0.87326 0.53082 0.09193 1.00000
K4 K 0.15531 0.02990 0.90465 1.00000
Pd1 Pd 0.53038 0.57200 0.77927 1.00000
Pd2 Pd 0.45108 0.08479 0.24148 1.00000
O1 O 0.33103 0.66376 0.03438 1.00000
O2 O 0.67009 0.18680 0.98711 1.00000
O3 O 0.67131 0.47456 0.50899 1.00000
O4 O 0.28917 0.97220 0.50010 1.00000
O5 O 0.29300 0.40468 0.76290 1.00000
O6 O 0.74618 0.93558 0.21497 1.00000
O7 O 0.79973 0.71414 0.74765 1.00000
O8 O 0.18127 0.24016 0.22828 1.00000
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