DyHfO3
Alexandria ALEXAlex-ID: agm002302765 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_58_spg167
Dy4Hf3O12 Hf6O Dy2O3
2019-01-09 04:19:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302765).
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 agm002302765
data_agm002302765
_cell_length_a 5.88893
_cell_length_b 5.70612
_cell_length_c 5.76394
_cell_angle_alpha 86.32570
_cell_angle_beta 123.19790
_cell_angle_gamma 121.33937
_cell_volume 131.66179
_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
Hf1 Hf 0.99556 0.96553 0.01900 1.00000
Hf2 Hf 0.00061 0.51286 0.45781 1.00000
O1 O 0.88144 0.16380 0.66622 1.00000
O2 O 0.49117 0.34230 0.27253 1.00000
O3 O 0.07728 0.91100 0.42008 1.00000
O4 O 0.48008 0.63808 0.66867 1.00000
O5 O 0.81189 0.15652 0.12740 1.00000
O6 O 0.10380 0.73225 0.85260 1.00000
Dy1 Dy 0.60729 0.29767 0.74265 1.00000
Dy2 Dy 0.55088 0.77976 0.27305 1.00000
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