Mg3TlHg5
Alexandria ALEXAlex-ID: agm072655871 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1064_spg191
Tl4Hg3 Hg MgHg
2024-09-25 21:17:24.925134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072655871).
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 agm072655871
data_agm072655871
_cell_length_a 6.04505
_cell_length_b 6.04505
_cell_length_c 7.45234
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 235.84341
_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
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.50000 0.00000 0.50000 1.00000
Mg3 Mg 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.66667 0.33333 0.81177 1.00000
Hg3 Hg 0.33333 0.66667 0.18823 1.00000
Hg4 Hg 0.33333 0.66667 0.81177 1.00000
Hg5 Hg 0.66667 0.33333 0.18823 1.00000
Get direct link