Tl2VNiTe6
Alexandria ALEXAlex-ID: agm071528993 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2690_spg212
Tl2Te Tl(VTe2)4 Tl2Te3 NiTe2
2024-09-10 22:09:10.477254
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071528993).
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 agm071528993
data_agm071528993
_cell_length_a 11.01389
_cell_length_b 11.01389
_cell_length_c 11.01389
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1336.05017
_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 0.30836 0.30836 0.30836 1.00000
Tl2 Tl 0.19164 0.69164 0.80836 1.00000
Tl3 Tl 0.69164 0.80836 0.19164 1.00000
Tl4 Tl 0.80836 0.19164 0.69164 1.00000
Tl5 Tl 0.55836 0.05836 0.44164 1.00000
Tl6 Tl 0.94164 0.94164 0.94164 1.00000
Tl7 Tl 0.05836 0.44164 0.55836 1.00000
Tl8 Tl 0.44164 0.55836 0.05836 1.00000
V1 V 0.62500 0.62500 0.62500 1.00000
V2 V 0.87500 0.37500 0.12500 1.00000
V3 V 0.37500 0.12500 0.87500 1.00000
V4 V 0.12500 0.87500 0.37500 1.00000
Ni1 Ni 0.12500 0.12500 0.12500 1.00000
Ni2 Ni 0.37500 0.87500 0.62500 1.00000
Ni3 Ni 0.87500 0.62500 0.37500 1.00000
Ni4 Ni 0.62500 0.37500 0.87500 1.00000
Te1 Te 0.91550 0.61654 0.14146 1.00000
Te2 Te 0.58450 0.38346 0.64146 1.00000
Te3 Te 0.08450 0.11654 0.35854 1.00000
Te4 Te 0.41550 0.88346 0.85854 1.00000
Te5 Te 0.14146 0.91550 0.61654 1.00000
Te6 Te 0.64146 0.58450 0.38346 1.00000
Te7 Te 0.35854 0.08450 0.11654 1.00000
Te8 Te 0.85854 0.41550 0.88346 1.00000
Te9 Te 0.61654 0.14146 0.91550 1.00000
Te10 Te 0.38346 0.64146 0.58450 1.00000
Te11 Te 0.11654 0.35854 0.08450 1.00000
Te12 Te 0.88346 0.85854 0.41550 1.00000
Te13 Te 0.86654 0.66550 0.60854 1.00000
Te14 Te 0.63346 0.33450 0.10854 1.00000
Te15 Te 0.36654 0.83450 0.39146 1.00000
Te16 Te 0.13346 0.16550 0.89146 1.00000
Te17 Te 0.16550 0.89146 0.13346 1.00000
Te18 Te 0.83450 0.39146 0.36654 1.00000
Te19 Te 0.33450 0.10854 0.63346 1.00000
Te20 Te 0.66550 0.60854 0.86654 1.00000
Te21 Te 0.39146 0.36654 0.83450 1.00000
Te22 Te 0.89146 0.13346 0.16550 1.00000
Te23 Te 0.60854 0.86654 0.66550 1.00000
Te24 Te 0.10854 0.63346 0.33450 1.00000
