KDy(H4Pd)2
Alexandria ALEXAlex-ID: agm007207341 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_305_spg12
Dy(HPd)4 K2H6Pd K(H3Pd)2 DyH3
2024-04-17 19:37:33.079752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007207341).
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 agm007207341
data_agm007207341
_cell_length_a 4.50864
_cell_length_b 4.90920
_cell_length_c 7.78302
_cell_angle_alpha 95.91247
_cell_angle_beta 106.80265
_cell_angle_gamma 117.31314
_cell_volume 140.79144
_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 0.93719 0.15246 0.15524 1.00000
Dy1 Dy 0.85518 0.65230 0.65524 1.00000
H1 H 0.79695 0.55196 0.95031 1.00000
H2 H 0.28930 0.12404 0.57569 1.00000
H3 H 0.60279 0.75262 0.36012 1.00000
H4 H 0.42955 0.70530 0.80305 1.00000
H5 H 0.89720 0.18031 0.73484 1.00000
H6 H 0.63380 0.26087 0.38907 1.00000
H7 H 0.29129 0.04353 0.92145 1.00000
H8 H 0.22895 0.59908 0.50746 1.00000
Pd1 Pd 0.34994 0.36363 0.84468 1.00000
Pd2 Pd 0.44918 0.94073 0.46578 1.00000
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