DySc(H4Pd)2
Alexandria ALEXAlex-ID: agm007387152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_323_spg148
Sc(HPd)4 H4Pd ScH3 DyH3
2025-05-27 08:50:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007387152).
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 agm007387152
data_agm007387152
_cell_length_a 4.57886
_cell_length_b 4.80547
_cell_length_c 6.26188
_cell_angle_alpha 67.06990
_cell_angle_beta 70.25452
_cell_angle_gamma 58.44852
_cell_volume 106.54988
_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 0.00037 0.95909 0.99989 1.00000
Sc1 Sc 0.49994 0.45834 0.49994 1.00000
H1 H 0.00002 0.95663 0.49640 1.00000
H2 H 0.09801 0.49520 0.81952 1.00000
H3 H 0.00023 0.45251 0.50398 1.00000
H4 H 0.51150 0.51173 0.82118 1.00000
H5 H 0.48166 0.41160 0.17967 1.00000
H6 H 0.51860 0.06776 0.82015 1.00000
H7 H 0.48753 0.84951 0.17880 1.00000
H8 H 0.90206 0.42198 0.18051 1.00000
Pd1 Pd 0.74313 0.74750 0.67510 1.00000
Pd2 Pd 0.25694 0.16815 0.32488 1.00000
Get direct link