DyTi(H4Pd)2
Alexandria ALEXAlex-ID: agm007404108 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
DyH3 H4Pd Dy(HPd)4 TiH2
2025-05-27 08:51:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404108).
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 agm007404108
data_agm007404108
_cell_length_a 5.05589
_cell_length_b 5.94248
_cell_length_c 5.35818
_cell_angle_alpha 102.72119
_cell_angle_beta 110.79874
_cell_angle_gamma 123.61703
_cell_volume 105.84931
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
H1 H 0.57825 0.83353 0.58438 1.00000
H2 H 0.49131 0.38916 0.13543 1.00000
H3 H 0.42175 0.16647 0.41562 1.00000
H4 H 0.86131 0.05460 0.28315 1.00000
H5 H 0.13869 0.94540 0.71685 1.00000
H6 H 0.95111 0.31132 0.04264 1.00000
H7 H 0.04889 0.68868 0.95736 1.00000
H8 H 0.50869 0.61084 0.86457 1.00000
Pd1 Pd 0.43474 0.67677 0.18156 1.00000
Pd2 Pd 0.56526 0.32323 0.81844 1.00000
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