KCo(H2Pd)2
Alexandria ALEXAlex-ID: agm007464585 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
K(H3Pd)2 K2H4Pd Co HPd
2024-03-15 17:44:37.817851
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007464585).
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 agm007464585
data_agm007464585
_cell_length_a 4.65155
_cell_length_b 4.65155
_cell_length_c 6.77665
_cell_angle_alpha 63.34364
_cell_angle_beta 63.34364
_cell_angle_gamma 59.07110
_cell_volume 107.76531
_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 0.09620 0.90380 0.00000 1.00000
Co1 Co 0.50995 0.49005 0.50000 1.00000
H1 H 0.75403 0.41530 0.65026 1.00000
H2 H 0.40201 0.86102 0.30564 1.00000
H3 H 0.58470 0.24597 0.34974 1.00000
H4 H 0.13898 0.59799 0.69436 1.00000
Pd1 Pd 0.82219 0.80807 0.55004 1.00000
Pd2 Pd 0.19193 0.17781 0.44996 1.00000
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