Dy4CdHg7
Alexandria ALEXAlex-ID: agm003666056 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
DyHg2 Dy2CdHg3
2022-04-08 17:29:20.120275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666056).
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 agm003666056
data_agm003666056
_cell_length_a 5.36357
_cell_length_b 9.67141
_cell_length_c 6.99181
_cell_angle_alpha 79.03952
_cell_angle_beta 67.44555
_cell_angle_gamma 73.90146
_cell_volume 320.37578
_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 0.58030 0.22333 0.61607 1.00000
Dy2 Dy 0.41970 0.77667 0.38393 1.00000
Dy3 Dy 0.73632 0.68099 0.84637 1.00000
Dy4 Dy 0.26368 0.31901 0.15363 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.80264 0.91721 0.47752 1.00000
Hg2 Hg 0.19736 0.08279 0.52248 1.00000
Hg3 Hg 0.07351 0.65515 0.19783 1.00000
Hg4 Hg 0.92649 0.34485 0.80217 1.00000
Hg5 Hg 0.36040 0.53584 0.74335 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.63960 0.46416 0.25665 1.00000
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