Dy4ZnCdHg2
Alexandria ALEXAlex-ID: agm034650693 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Dy3CdHg2 Dy2ZnCd Dy2ZnHg
2025-07-01 15:07:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034650693).
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 agm034650693
data_agm034650693
_cell_length_a 9.02499
_cell_length_b 9.02499
_cell_length_c 9.02499
_cell_angle_alpha 33.67355
_cell_angle_beta 33.67355
_cell_angle_gamma 33.67355
_cell_volume 201.32929
_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 0.62062 0.62062 0.62062 1.00000
Dy2 Dy 0.12913 0.12913 0.12913 1.00000
Dy3 Dy 0.87087 0.87087 0.87087 1.00000
Dy4 Dy 0.37938 0.37938 0.37938 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.25250 0.25250 0.25250 1.00000
Hg2 Hg 0.74750 0.74750 0.74750 1.00000
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