Dy4InHg2Ir
Alexandria ALEXAlex-ID: agm004806087 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Dy11In9Ir4 Dy5HgIr2 Dy6Hg5Ir DyHg
2022-07-14 08:41:29.970953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004806087).
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 agm004806087
data_agm004806087
_cell_length_a 5.17971
_cell_length_b 5.17971
_cell_length_c 8.90932
_cell_angle_alpha 73.10072
_cell_angle_beta 73.10072
_cell_angle_gamma 60.00000
_cell_volume 194.99737
_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 0.38725 0.38725 0.83824 1.00000
Dy2 Dy 0.86672 0.86672 0.39985 1.00000
Dy3 Dy 0.13328 0.13328 0.60015 1.00000
Dy4 Dy 0.61275 0.61275 0.16176 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.73900 0.73900 0.78299 1.00000
Hg2 Hg 0.26100 0.26100 0.21701 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Get direct link