Tl2Hg4H5
Alexandria ALEXAlex-ID: agm005665286 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_862_spg12
HgH4 Tl4Hg3 Hg
2023-06-21 16:02:11.132386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665286).
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 agm005665286
data_agm005665286
_cell_length_a 9.24928
_cell_length_b 6.23750
_cell_length_c 6.83546
_cell_angle_alpha 62.85394
_cell_angle_beta 44.82205
_cell_angle_gamma 89.99995
_cell_volume 211.89743
_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 0.80788 0.99408 0.01184 1.00000
Tl2 Tl 0.19212 0.00592 0.98816 1.00000
Hg1 Hg 0.31170 0.48217 0.03566 1.00000
Hg2 Hg 0.68830 0.51783 0.96434 1.00000
Hg3 Hg 0.76814 0.27097 0.45806 1.00000
Hg4 Hg 0.23186 0.72903 0.54194 1.00000
H1 H 0.20214 0.97189 0.60474 1.00000
H2 H 0.79786 0.02811 0.39526 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.20214 0.42337 0.60474 1.00000
H5 H 0.79786 0.57663 0.39526 1.00000
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