Tb6Hg2S3
Alexandria ALEXAlex-ID: agm005603379 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Tb2Hg Tb6HgS4 TbHg
2023-06-12 23:44:58.735055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603379).
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 agm005603379
data_agm005603379
_cell_length_a 6.76152
_cell_length_b 6.75876
_cell_length_c 7.59823
_cell_angle_alpha 81.20462
_cell_angle_beta 72.20046
_cell_angle_gamma 59.98652
_cell_volume 286.28121
_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
Tb1 Tb 0.41180 0.67471 0.77466 1.00000
Tb2 Tb 0.73195 0.00000 0.78698 1.00000
Tb3 Tb 0.08650 0.32529 0.77466 1.00000
Tb4 Tb 0.26805 0.00000 0.21302 1.00000
Tb5 Tb 0.58820 0.32529 0.22534 1.00000
Tb6 Tb 0.91350 0.67471 0.22534 1.00000
Hg1 Hg 0.16074 0.67851 0.50000 1.00000
Hg2 Hg 0.83926 0.32149 0.50000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.32699 0.34602 0.00000 1.00000
S3 S 0.67301 0.65398 0.00000 1.00000
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