DyTm(AgHg2)2
Alexandria ALEXAlex-ID: agm032019727 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
TmAgHg2 DyAgHg2
2024-12-25 15:36:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032019727).
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 agm032019727
data_agm032019727
_cell_length_a 8.64700
_cell_length_b 8.64700
_cell_length_c 8.64700
_cell_angle_alpha 33.53579
_cell_angle_beta 33.53579
_cell_angle_gamma 33.53579
_cell_volume 175.76088
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.25025 0.25025 0.25025 1.00000
Ag2 Ag 0.74975 0.74975 0.74975 1.00000
Hg1 Hg 0.62395 0.62395 0.62395 1.00000
Hg2 Hg 0.12552 0.12552 0.12552 1.00000
Hg3 Hg 0.87448 0.87448 0.87448 1.00000
Hg4 Hg 0.37605 0.37605 0.37605 1.00000
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