Dy3H7Au2
Alexandria ALEXAlex-ID: agm006355757 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_672_spg6
DyH3 DyAu3
2025-04-28 18:08:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006355757).
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 agm006355757
data_agm006355757
_cell_length_a 5.02730
_cell_length_b 3.57911
_cell_length_c 8.24043
_cell_angle_alpha 90.00000
_cell_angle_beta 103.85051
_cell_angle_gamma 90.00000
_cell_volume 143.96097
_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 0.44658 0.50000 0.99325 1.00000
Dy2 Dy 0.07985 0.00000 0.24424 1.00000
Dy3 Dy 0.82730 0.00000 0.72542 1.00000
H1 H 0.12720 0.50000 0.75424 1.00000
H2 H 0.80525 0.50000 0.19373 1.00000
H3 H 0.67912 0.00000 0.95969 1.00000
H4 H 0.14756 0.00000 0.96336 1.00000
H5 H 0.47976 0.00000 0.17210 1.00000
H6 H 0.20320 0.50000 0.16251 1.00000
H7 H 0.76509 0.50000 0.84495 1.00000
Au1 Au 0.25702 0.50000 0.57011 1.00000
Au2 Au 0.68207 0.50000 0.41640 1.00000
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