Dy3(Ag2Hg)2
Alexandria ALEXAlex-ID: agm005608934 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
DyAg2 Dy3Hg5 DyAgHg2
2023-06-26 16:26:18.282205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608934).
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 agm005608934
data_agm005608934
_cell_length_a 5.29935
_cell_length_b 9.06186
_cell_length_c 9.06186
_cell_angle_alpha 76.88824
_cell_angle_beta 81.63030
_cell_angle_gamma 81.63029
_cell_volume 416.43953
_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 0.07668 0.95665 0.71167 1.00000
Dy2 Dy 0.42332 0.28833 0.04336 1.00000
Dy3 Dy 0.92332 0.04335 0.28833 1.00000
Dy4 Dy 0.57668 0.71167 0.95664 1.00000
Dy5 Dy 0.25000 0.36945 0.63055 1.00000
Dy6 Dy 0.75000 0.63055 0.36945 1.00000
Ag1 Ag 0.52121 0.06368 0.82747 1.00000
Ag2 Ag 0.97879 0.17253 0.93632 1.00000
Ag3 Ag 0.47879 0.93632 0.17253 1.00000
Ag4 Ag 0.02121 0.82747 0.06368 1.00000
Ag5 Ag 0.63080 0.85592 0.59543 1.00000
Ag6 Ag 0.86920 0.40457 0.14408 1.00000
Ag7 Ag 0.36920 0.14408 0.40457 1.00000
Ag8 Ag 0.13080 0.59543 0.85592 1.00000
Hg1 Hg 0.19032 0.74029 0.48869 1.00000
Hg2 Hg 0.30967 0.51131 0.25971 1.00000
Hg3 Hg 0.80968 0.25971 0.51131 1.00000
Hg4 Hg 0.69033 0.48869 0.74029 1.00000
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