PmTlHgTe3
Alexandria ALEXAlex-ID: agm005036554 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_406_spg11
PmTlTe2 HgTe
2022-07-07 15:23:30.539050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005036554).
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 agm005036554
data_agm005036554
_cell_length_a 4.55567
_cell_length_b 9.45717
_cell_length_c 10.54858
_cell_angle_alpha 105.82041
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 437.25723
_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
Pm1 Pm 0.25000 0.67827 0.14353 1.00000
Pm2 Pm 0.75000 0.32173 0.85647 1.00000
Tl1 Tl 0.25000 0.21228 0.22756 1.00000
Tl2 Tl 0.75000 0.78772 0.77244 1.00000
Hg1 Hg 0.25000 0.09434 0.61197 1.00000
Hg2 Hg 0.75000 0.90566 0.38803 1.00000
Te1 Te 0.75000 0.90736 0.11945 1.00000
Te2 Te 0.25000 0.09264 0.88055 1.00000
Te3 Te 0.25000 0.76445 0.47004 1.00000
Te4 Te 0.75000 0.23555 0.52996 1.00000
Te5 Te 0.75000 0.45389 0.16330 1.00000
Te6 Te 0.25000 0.54611 0.83670 1.00000
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