K5(H6Pd)2
Alexandria ALEXAlex-ID: agm006372014 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_936_spg2
K2H6Pd KH K2H4Pd
2025-04-29 10:21:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006372014).
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 agm006372014
data_agm006372014
_cell_length_a 6.46358
_cell_length_b 11.06168
_cell_length_c 6.45932
_cell_angle_alpha 96.33508
_cell_angle_beta 59.94402
_cell_angle_gamma 65.09289
_cell_volume 330.80048
_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 0.87517 0.31798 0.88398 1.00000
K2 K 0.50422 0.31406 0.56934 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.49578 0.68594 0.43066 1.00000
K5 K 0.12483 0.68202 0.11602 1.00000
H1 H 0.03709 0.00344 0.93402 1.00000
H2 H 0.94651 0.54166 0.88710 1.00000
H3 H 0.26368 0.24877 0.38979 1.00000
H4 H 0.51412 0.73919 0.01706 1.00000
H5 H 0.99476 0.27725 0.22895 1.00000
H6 H 0.81018 0.50415 0.59547 1.00000
H7 H 0.18982 0.49585 0.40453 1.00000
H8 H 0.48588 0.26081 0.98294 1.00000
H9 H 0.00524 0.72275 0.77105 1.00000
H10 H 0.05349 0.45834 0.11290 1.00000
H11 H 0.73632 0.75123 0.61021 1.00000
H12 H 0.96291 0.99656 0.06598 1.00000
Pd1 Pd 0.14369 0.36545 0.27031 1.00000
Pd2 Pd 0.85631 0.63455 0.72969 1.00000
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