DyH8Pd2Pb
Alexandria ALEXAlex-ID: agm007453876 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_239_spg1
H2Pd3Pb DyH3 H4Pd H6Pb
2025-04-28 18:35:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453876).
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 agm007453876
data_agm007453876
_cell_length_a 4.46227
_cell_length_b 4.46513
_cell_length_c 7.03789
_cell_angle_alpha 98.27455
_cell_angle_beta 104.36833
_cell_angle_gamma 102.87281
_cell_volume 129.44717
_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 0.50000 0.50000 1.00000
H1 H 0.20140 0.49744 0.23856 1.00000
H2 H 0.69393 0.15400 0.22582 1.00000
H3 H 0.79860 0.50256 0.76144 1.00000
H4 H 0.30607 0.84600 0.77418 1.00000
H5 H 0.29756 0.37216 0.78836 1.00000
H6 H 0.70244 0.62784 0.21164 1.00000
H7 H 0.27056 0.05304 0.42621 1.00000
H8 H 0.72944 0.94696 0.57379 1.00000
Pd1 Pd 0.51077 0.15693 0.69907 1.00000
Pd2 Pd 0.48923 0.84307 0.30093 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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