KCoH6Pd
Alexandria ALEXAlex-ID: agm007662950 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_101_spg1
K(CoH2)4 K2H6Pd H4Pd K(H3Pd)2
2024-03-05 15:38:08.813762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007662950).
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 agm007662950
data_agm007662950
_cell_length_a 5.38190
_cell_length_b 5.38190
_cell_length_c 3.34295
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.62826
_cell_volume 81.54714
_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 0.01573 0.98427 0.00000 1.00000
Co1 Co 0.33074 0.66926 0.50000 1.00000
H1 H 0.35303 0.97825 0.50000 1.00000
H2 H 0.02175 0.64697 0.50000 1.00000
H3 H 0.34911 0.65089 0.00000 1.00000
H4 H 0.65605 0.93474 0.50000 1.00000
H5 H 0.50560 0.49440 0.50000 1.00000
H6 H 0.06526 0.34395 0.50000 1.00000
Pd1 Pd 0.70250 0.29750 0.50000 1.00000
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