Dy8Hg4Ir
Alexandria ALEXAlex-ID: agm097293238 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1227_spg6
Dy2Hg Dy4HgIr DyHg
2025-06-15 05:16:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097293238).
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
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# CIF generated by HEAS from Alexandria entry agm097293238
data_agm097293238
_cell_length_a 5.09286
_cell_length_b 7.44742
_cell_length_c 9.57348
_cell_angle_alpha 103.44232
_cell_angle_beta 89.99906
_cell_angle_gamma 89.99977
_cell_volume 353.16166
_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 0.26922 0.12865 0.38039 1.00000
Dy2 Dy 0.26926 0.26530 0.89413 1.00000
Dy3 Dy 0.26922 0.61422 0.25802 1.00000
Dy4 Dy 0.26925 0.74845 0.88184 1.00000
Dy5 Dy 0.76924 0.30911 0.18376 1.00000
Dy6 Dy 0.76919 0.27532 0.62341 1.00000
Dy7 Dy 0.76922 0.87082 0.16379 1.00000
Dy8 Dy 0.76919 0.74098 0.52302 1.00000
Hg1 Hg 0.76926 0.00514 0.85931 1.00000
Hg2 Hg 0.26919 0.94720 0.62671 1.00000
Hg3 Hg 0.76928 0.51469 0.94014 1.00000
Hg4 Hg 0.26918 0.50651 0.56103 1.00000
Ir1 Ir 0.26929 0.07361 0.10446 1.00000
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