K2UH6Pd
Alexandria ALEXAlex-ID: agm007607680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_554_spg12
K2H4Pd KH UPd UH3
2024-02-09 05:05:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007607680).
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 agm007607680
data_agm007607680
_cell_length_a 5.28205
_cell_length_b 5.51936
_cell_length_c 7.26688
_cell_angle_alpha 112.19326
_cell_angle_beta 110.90301
_cell_angle_gamma 90.05363
_cell_volume 180.98051
_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 0.81634 0.31886 0.63694 1.00000
K2 K 0.18366 0.68114 0.36306 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
H1 H 0.40537 0.61998 0.73951 1.00000
H2 H 0.00774 0.12602 0.25230 1.00000
H3 H 0.40539 0.11664 0.73759 1.00000
H4 H 0.99226 0.87398 0.74770 1.00000
H5 H 0.59461 0.88336 0.26241 1.00000
H6 H 0.59463 0.38002 0.26049 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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