Zr(TlTe)5
Alexandria ALEXAlex-ID: agm003673571 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_40_spg12
ZrTe5 Tl2Te ZrTl2Te3
2022-04-09 19:14:08.292924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673571).
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 agm003673571
data_agm003673571
_cell_length_a 6.43547
_cell_length_b 8.09669
_cell_length_c 9.26649
_cell_angle_alpha 110.56393
_cell_angle_beta 90.00000
_cell_angle_gamma 113.41660
_cell_volume 409.32864
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.69757 0.39514 0.30671 1.00000
Tl2 Tl 0.64675 0.29350 0.79870 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.35325 0.70650 0.20130 1.00000
Tl5 Tl 0.30243 0.60486 0.69329 1.00000
Te1 Te 0.84560 0.69120 0.11674 1.00000
Te2 Te 0.85190 0.70381 0.69036 1.00000
Te3 Te 0.50000 0.00000 0.00000 1.00000
Te4 Te 0.14810 0.29619 0.30964 1.00000
Te5 Te 0.15440 0.30880 0.88326 1.00000
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