DyAgH6
Alexandria ALEXAlex-ID: agm079455671 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_41_spg38
DyH3 H2 Ag
2025-06-27 09:44:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079455671).
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 agm079455671
data_agm079455671
_cell_length_a 5.27417
_cell_length_b 3.74209
_cell_length_c 5.41400
_cell_angle_alpha 89.64074
_cell_angle_beta 134.72383
_cell_angle_gamma 92.41306
_cell_volume 75.81121
_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 0.17586 0.74578 0.50890 1.00000
Ag1 Ag 0.44502 0.27115 0.17561 1.00000
H1 H 0.23630 0.25395 0.38409 1.00000
H2 H 0.76435 0.87628 0.84532 1.00000
H3 H 0.98690 0.25014 0.61262 1.00000
H4 H 0.62827 0.51167 0.00578 1.00000
H5 H 0.68390 0.06136 0.76421 1.00000
H6 H 0.32941 0.77966 0.20346 1.00000
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