Tl4HgTe2
Alexandria ALEXAlex-ID: agm003459115 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1137_spg122
Hg Tl2Te
2022-02-20 03:43:37.310184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459115).
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 agm003459115
data_agm003459115
_cell_length_a 8.64791
_cell_length_b 8.64504
_cell_length_c 8.59594
_cell_angle_alpha 108.05816
_cell_angle_beta 108.08325
_cell_angle_gamma 112.54552
_cell_volume 492.27235
_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 0.02272 0.27968 0.40890 1.00000
Tl2 Tl 0.38131 0.46950 0.24497 1.00000
Tl3 Tl 0.87092 0.61420 0.59127 1.00000
Tl4 Tl 0.71964 0.13117 0.74474 1.00000
Tl5 Tl 0.38652 0.97462 0.25504 1.00000
Tl6 Tl 0.22491 0.13671 0.75521 1.00000
Tl7 Tl 0.52968 0.77279 0.90874 1.00000
Tl8 Tl 0.86402 0.62086 0.09107 1.00000
Hg1 Hg 0.24937 0.74985 0.50000 1.00000
Hg2 Hg 0.99989 0.99974 0.00016 1.00000
Te1 Te 0.51314 0.37541 0.63792 1.00000
Te2 Te 0.73733 0.87492 0.36194 1.00000
Te3 Te 0.62546 0.26307 0.13797 1.00000
Te4 Te 0.12508 0.48747 0.86207 1.00000
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