KPdN
Alexandria ALEXAlex-ID: agm005689156 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_916_spg12
K KPd2 KN3
2023-06-18 02:11:37.353455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689156).
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 agm005689156
data_agm005689156
_cell_length_a 4.00457
_cell_length_b 5.11410
_cell_length_c 7.02310
_cell_angle_alpha 106.08716
_cell_angle_beta 73.40715
_cell_angle_gamma 90.01619
_cell_volume 131.95789
_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 0.87928 0.90985 0.24159 1.00000
K2 K 0.12072 0.09015 0.75841 1.00000
Pd1 Pd 0.67938 0.54322 0.64154 1.00000
Pd2 Pd 0.32062 0.45678 0.35846 1.00000
N1 N 0.52343 0.58032 0.95039 1.00000
N2 N 0.47657 0.41968 0.04961 1.00000
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