K2U(PdSe2)2
Alexandria ALEXAlex-ID: agm004559617 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_0_spg12
K3USe4 K2Pd3Se4 KUPdSe3 UPd8
2022-06-19 14:44:26.545130
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559617).
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
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# CIF generated by HEAS from Alexandria entry agm004559617
data_agm004559617
_cell_length_a 4.10818
_cell_length_b 7.93113
_cell_length_c 7.71985
_cell_angle_alpha 108.43104
_cell_angle_beta 105.43109
_cell_angle_gamma 90.00000
_cell_volume 229.05225
_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 0.13560 0.57737 0.27120 1.00000
K2 K 0.86440 0.42263 0.72880 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.67984 0.99446 0.35968 1.00000
Pd2 Pd 0.32016 0.00554 0.64032 1.00000
Se1 Se 0.19310 0.18836 0.38620 1.00000
Se2 Se 0.80690 0.81164 0.61380 1.00000
Se3 Se 0.51087 0.76061 0.02173 1.00000
Se4 Se 0.48913 0.23939 0.97827 1.00000
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