Tl8Hg6O
Alexandria ALEXAlex-ID: agm072141968 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Tl2O Tl4Hg3 Hg
2024-10-07 03:34:41.689482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072141968).
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 agm072141968
data_agm072141968
_cell_length_a 7.59346
_cell_length_b 8.10031
_cell_length_c 9.10888
_cell_angle_alpha 95.50511
_cell_angle_beta 122.28022
_cell_angle_gamma 105.98750
_cell_volume 434.53138
_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
Tl1 Tl 0.44353 0.18822 0.03724 1.00000
Tl2 Tl 0.55647 0.81178 0.96276 1.00000
Tl3 Tl 0.01770 0.23556 0.25820 1.00000
Tl4 Tl 0.29477 0.55698 0.13713 1.00000
Tl5 Tl 0.11765 0.37831 0.67502 1.00000
Tl6 Tl 0.98230 0.76444 0.74180 1.00000
Tl7 Tl 0.70523 0.44302 0.86287 1.00000
Tl8 Tl 0.88235 0.62169 0.32498 1.00000
Hg1 Hg 0.69649 0.96324 0.40001 1.00000
Hg2 Hg 0.56089 0.32123 0.43912 1.00000
Hg3 Hg 0.12485 0.88971 0.16693 1.00000
Hg4 Hg 0.30351 0.03676 0.59999 1.00000
Hg5 Hg 0.43911 0.67877 0.56088 1.00000
Hg6 Hg 0.87515 0.11029 0.83307 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
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