Tc(HgTe)2
Alexandria ALEXAlex-ID: agm005407751 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_40_spg139
Hg TcTe2
2023-03-17 21:39:09.651853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407751).
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 agm005407751
data_agm005407751
_cell_length_a 5.86418
_cell_length_b 5.86418
_cell_length_c 5.86418
_cell_angle_alpha 120.67503
_cell_angle_beta 120.67503
_cell_angle_gamma 88.83474
_cell_volume 141.10930
_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
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66234 0.66234 0.00000 1.00000
Hg2 Hg 0.33766 0.33766 0.00000 1.00000
Te1 Te 0.25000 0.75000 0.50000 1.00000
Te2 Te 0.75000 0.25000 0.50000 1.00000
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