DyAgH6
Alexandria ALEXAlex-ID: agm079238002 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_4_spg166
DyH3 H2 Ag
2025-06-13 13:42:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079238002).
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 agm079238002
data_agm079238002
_cell_length_a 5.19828
_cell_length_b 4.35241
_cell_length_c 4.36604
_cell_angle_alpha 63.60880
_cell_angle_beta 64.73231
_cell_angle_gamma 64.23870
_cell_volume 76.27665
_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 0.93956 0.05842 0.94475 1.00000
Ag1 Ag 0.40129 0.58907 0.46348 1.00000
H1 H 0.61531 0.03933 0.74103 1.00000
H2 H 0.74784 0.60110 0.47856 1.00000
H3 H 0.09524 0.49417 0.89313 1.00000
H4 H 0.61488 0.86431 0.91561 1.00000
H5 H 0.09523 0.02282 0.37684 1.00000
H6 H 0.49065 0.33078 0.18661 1.00000
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