K5NaGe2PdO8
Alexandria ALEXAlex-ID: agm010370174 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5E8_2_spg15
NaPd3O4 Na4GeO4 K6Ge2PdO8 Na2GeO3 Pd
2024-08-24 23:58:32.251879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010370174).
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 agm010370174
data_agm010370174
_cell_length_a 7.10277
_cell_length_b 7.10277
_cell_length_c 13.62569
_cell_angle_alpha 83.40400
_cell_angle_beta 83.40400
_cell_angle_gamma 90.34414
_cell_volume 678.20762
_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 0.37163 0.62837 0.75000 1.00000
K2 K 0.12249 0.51544 0.35301 1.00000
K3 K 0.62837 0.37163 0.25000 1.00000
K4 K 0.87751 0.48456 0.64699 1.00000
K5 K 0.98894 0.68906 0.07316 1.00000
K6 K 0.51544 0.12249 0.85301 1.00000
K7 K 0.31094 0.01106 0.42684 1.00000
K8 K 0.68906 0.98894 0.57316 1.00000
K9 K 0.48456 0.87751 0.14699 1.00000
K10 K 0.01106 0.31094 0.92684 1.00000
Na1 Na 0.95546 0.04454 0.25000 1.00000
Na2 Na 0.04454 0.95546 0.75000 1.00000
Ge1 Ge 0.29855 0.22454 0.63685 1.00000
Ge2 Ge 0.77546 0.70145 0.86315 1.00000
Ge3 Ge 0.70145 0.77546 0.36315 1.00000
Ge4 Ge 0.22454 0.29855 0.13685 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.50000 0.50000 0.00000 1.00000
O1 O 0.53448 0.33106 0.63209 1.00000
O2 O 0.72963 0.85033 0.75611 1.00000
O3 O 0.85033 0.72963 0.25611 1.00000
O4 O 0.76184 0.64100 0.47695 1.00000
O5 O 0.23816 0.35900 0.52305 1.00000
O6 O 0.14967 0.27037 0.74389 1.00000
O7 O 0.33106 0.53448 0.13209 1.00000
O8 O 0.69789 0.02171 0.37073 1.00000
O9 O 0.97829 0.30211 0.12927 1.00000
O10 O 0.46552 0.66894 0.36791 1.00000
O11 O 0.27037 0.14967 0.24389 1.00000
O12 O 0.02171 0.69789 0.87073 1.00000
O13 O 0.64100 0.76184 0.97695 1.00000
O14 O 0.30211 0.97829 0.62927 1.00000
O15 O 0.66894 0.46552 0.86791 1.00000
O16 O 0.35900 0.23816 0.02305 1.00000
