Tm3HgTe2
Alexandria ALEXAlex-ID: agm005651643 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Tm5(HgTe)2 Tm5Te6 TmHg
2023-08-25 06:07:48.992307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651643).
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 agm005651643
data_agm005651643
_cell_length_a 7.51002
_cell_length_b 7.51002
_cell_length_c 13.39702
_cell_angle_alpha 101.05192
_cell_angle_beta 101.05192
_cell_angle_gamma 108.42505
_cell_volume 677.25129
_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
Tm1 Tm 0.16476 0.67774 0.82846 1.00000
Tm2 Tm 0.66369 0.15071 0.82846 1.00000
Tm3 Tm 0.08524 0.07226 0.67154 1.00000
Tm4 Tm 0.58631 0.59929 0.67154 1.00000
Tm5 Tm 0.01319 0.51319 0.50000 1.00000
Tm6 Tm 0.48681 0.98681 0.50000 1.00000
Tm7 Tm 0.40071 0.41369 0.32846 1.00000
Tm8 Tm 0.92774 0.91476 0.32846 1.00000
Tm9 Tm 0.84929 0.33631 0.17154 1.00000
Tm10 Tm 0.32226 0.83524 0.17154 1.00000
Tm11 Tm 0.23681 0.23681 0.00000 1.00000
Tm12 Tm 0.76319 0.76319 1.00000 1.00000
Hg1 Hg 0.91669 0.91669 0.83338 1.00000
Hg2 Hg 0.33331 0.83331 0.66662 1.00000
Hg3 Hg 0.16669 0.66669 0.33338 1.00000
Hg4 Hg 0.08331 0.08331 0.16662 1.00000
Te1 Te 0.99703 0.49703 0.99406 1.00000
Te2 Te 0.41935 0.41935 0.83870 1.00000
Te3 Te 0.83065 0.33065 0.66130 1.00000
Te4 Te 0.25297 0.25297 0.50594 1.00000
Te5 Te 0.74703 0.74703 0.49406 1.00000
Te6 Te 0.66935 0.16935 0.33870 1.00000
Te7 Te 0.58065 0.58065 0.16130 1.00000
Te8 Te 0.50297 0.00297 0.00594 1.00000
