DyY(H4Pd)2
Alexandria ALEXAlex-ID: agm007388458 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_238_spg1
YH3 H4Pd YH4Pd3 DyH3
2025-04-28 18:42:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007388458).
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 agm007388458
data_agm007388458
_cell_length_a 4.48159
_cell_length_b 5.24971
_cell_length_c 7.11188
_cell_angle_alpha 60.42183
_cell_angle_beta 70.01311
_cell_angle_gamma 56.38917
_cell_volume 120.64436
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
H1 H 0.75546 0.91456 0.39613 1.00000
H2 H 0.08173 0.47384 0.78760 1.00000
H3 H 0.24454 0.08544 0.60387 1.00000
H4 H 0.53329 0.47747 0.82085 1.00000
H5 H 0.46671 0.52253 0.17915 1.00000
H6 H 0.61989 0.03305 0.82100 1.00000
H7 H 0.38011 0.96695 0.17900 1.00000
H8 H 0.91827 0.52616 0.21240 1.00000
Pd1 Pd 0.66969 0.78168 0.70343 1.00000
Pd2 Pd 0.33031 0.21832 0.29657 1.00000
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