Dy6HgIr2
Alexandria ALEXAlex-ID: agm005806545 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Dy7Ir3 Dy5HgIr2 Dy4HgIr
2023-07-07 00:11:11.570336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806545).
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 agm005806545
data_agm005806545
_cell_length_a 8.47908
_cell_length_b 8.47908
_cell_length_c 8.47908
_cell_angle_alpha 104.22058
_cell_angle_beta 111.18454
_cell_angle_gamma 113.13951
_cell_volume 466.20221
_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 0.53557 0.71600 0.81956 1.00000
Dy2 Dy 0.46443 0.28400 0.18044 1.00000
Dy3 Dy 0.10356 0.28400 0.81956 1.00000
Dy4 Dy 0.89644 0.71600 0.18044 1.00000
Dy5 Dy 0.79872 0.76038 0.55910 1.00000
Dy6 Dy 0.20128 0.23962 0.44090 1.00000
Dy7 Dy 0.20128 0.76038 0.96166 1.00000
Dy8 Dy 0.79872 0.23962 0.03834 1.00000
Dy9 Dy 0.69172 0.36057 0.66886 1.00000
Dy10 Dy 0.30828 0.63943 0.33114 1.00000
Dy11 Dy 0.30828 0.97714 0.66886 1.00000
Dy12 Dy 0.69172 0.02286 0.33114 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.36926 0.86926 1.00000
Ir2 Ir 0.50000 0.63074 0.13074 1.00000
Ir3 Ir 0.66607 1.00000 0.66607 1.00000
Ir4 Ir 0.33393 0.00000 0.33393 1.00000
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