Dy3Hg2H
Alexandria ALEXAlex-ID: agm003418320 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1073_spg15
Dy2HgH2 Dy2Hg DyHg
2022-02-13 08:09:24.351452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418320).
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 agm003418320
data_agm003418320
_cell_length_a 7.07482
_cell_length_b 7.77732
_cell_length_c 6.39667
_cell_angle_alpha 105.01804
_cell_angle_beta 123.57360
_cell_angle_gamma 90.00000
_cell_volume 278.70608
_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 0.39973 0.25000 1.00000 1.00000
Dy2 Dy 0.60027 0.75000 0.00000 1.00000
Dy3 Dy 0.21380 0.96231 0.27212 1.00000
Dy4 Dy 0.94167 0.53769 0.72788 1.00000
Dy5 Dy 0.05833 0.46231 0.27212 1.00000
Dy6 Dy 0.78620 0.03769 0.72788 1.00000
Hg1 Hg 0.48098 0.64706 0.35111 1.00000
Hg2 Hg 0.87013 0.14706 0.35111 1.00000
Hg3 Hg 0.12987 0.85294 0.64889 1.00000
Hg4 Hg 0.51902 0.35294 0.64889 1.00000
H1 H 0.90956 0.75000 1.00000 1.00000
H2 H 0.09044 0.25000 0.00000 1.00000
Get direct link