Mg2Tl3Hg8
Alexandria ALEXAlex-ID: agm005644560 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_504_spg2
Tl4Hg3 Hg MgHg
2023-06-16 02:02:05.016318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644560).
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 agm005644560
data_agm005644560
_cell_length_a 3.39391
_cell_length_b 13.16806
_cell_length_c 8.13233
_cell_angle_alpha 94.06200
_cell_angle_beta 79.29811
_cell_angle_gamma 75.85041
_cell_volume 343.70082
_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 0.59758 0.70599 0.34898 1.00000
Mg2 Mg 0.40242 0.29401 0.65102 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.74908 0.27053 0.02509 1.00000
Tl3 Tl 0.25092 0.72947 0.97491 1.00000
Hg1 Hg 0.92076 0.37809 0.39442 1.00000
Hg2 Hg 0.07924 0.62191 0.60558 1.00000
Hg3 Hg 0.92721 0.89545 0.31901 1.00000
Hg4 Hg 0.07279 0.10455 0.68099 1.00000
Hg5 Hg 0.29552 0.86811 0.66118 1.00000
Hg6 Hg 0.66926 0.47305 0.80905 1.00000
Hg7 Hg 0.33074 0.52695 0.19095 1.00000
Hg8 Hg 0.70448 0.13189 0.33882 1.00000
Get direct link