Dy2(HfH3)3
Alexandria ALEXAlex-ID: agm006205669 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_427_spg166
Hf2H3 Hf4H7 DyH2
2024-02-01 21:26:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205669).
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 agm006205669
data_agm006205669
_cell_length_a 4.70673
_cell_length_b 6.17458
_cell_length_c 6.99656
_cell_angle_alpha 125.89496
_cell_angle_beta 90.33345
_cell_angle_gamma 112.11188
_cell_volume 145.48864
_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 0.19683 0.39094 0.64068 1.00000
Dy2 Dy 0.80287 0.60908 0.35936 1.00000
Hf1 Hf 0.44030 0.89667 0.23410 1.00000
Hf2 Hf 0.99951 0.99998 0.00001 1.00000
Hf3 Hf 0.55939 0.10335 0.76593 1.00000
H1 H 0.99145 0.92009 0.26476 1.00000
H2 H 0.87055 0.24234 0.31562 1.00000
H3 H 0.50213 0.99985 0.99995 1.00000
H4 H 0.12939 0.75797 0.68484 1.00000
H5 H 0.62155 0.74563 0.68144 1.00000
H6 H 0.37808 0.25402 0.31809 1.00000
H7 H 0.00829 0.07998 0.73537 1.00000
H8 H 0.99988 0.50020 0.99965 1.00000
H9 H 0.49977 0.49989 0.00020 1.00000
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