Dy12Hg5Ir2
Alexandria ALEXAlex-ID: agm003370971 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
Dy2Hg Dy4HgIr DyHg
2022-02-06 18:15:22.052306
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370971).
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 agm003370971
data_agm003370971
_cell_length_a 7.79421
_cell_length_b 9.08783
_cell_length_c 9.28837
_cell_angle_alpha 102.98036
_cell_angle_beta 90.00000
_cell_angle_gamma 115.39312
_cell_volume 575.68957
_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 0.97108 0.94217 0.16910 1.00000
Dy2 Dy 0.09288 0.66099 0.89277 1.00000
Dy3 Dy 0.56811 0.66099 0.89277 1.00000
Dy4 Dy 0.11302 0.71677 0.43731 1.00000
Dy5 Dy 0.60376 0.71677 0.43731 1.00000
Dy6 Dy 0.49759 0.99518 0.76061 1.00000
Dy7 Dy 0.50241 0.00482 0.23939 1.00000
Dy8 Dy 0.88698 0.28323 0.56269 1.00000
Dy9 Dy 0.39624 0.28323 0.56269 1.00000
Dy10 Dy 0.90712 0.33901 0.10723 1.00000
Dy11 Dy 0.43189 0.33901 0.10723 1.00000
Dy12 Dy 0.02892 0.05783 0.83090 1.00000
Hg1 Hg 0.28835 0.57671 0.62689 1.00000
Hg2 Hg 0.31023 0.62047 0.15979 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.68977 0.37953 0.84021 1.00000
Hg5 Hg 0.71165 0.42329 0.37311 1.00000
Ir1 Ir 0.72081 1.00000 0.00000 1.00000
Ir2 Ir 0.27919 0.00000 0.00000 1.00000
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