Tl2NiTeO6
Alexandria ALEXAlex-ID: agm004949600 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1887_spg1
Tl6TeO12 Tl2TeO6 Ni3TeO6 Tl2TeO3
2022-07-31 00:46:02.296232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949600).
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 agm004949600
data_agm004949600
_cell_length_a 5.35566
_cell_length_b 6.99883
_cell_length_c 6.94348
_cell_angle_alpha 47.91866
_cell_angle_beta 58.82879
_cell_angle_gamma 59.40200
_cell_volume 159.80132
_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 0.52270 0.50141 0.36648 1.00000
Tl2 Tl 0.10978 0.00280 0.86535 1.00000
Ni1 Ni 0.82258 0.79950 0.58058 1.00000
Te1 Te 0.31611 0.35636 0.01288 1.00000
O1 O 0.49105 0.13425 0.48608 1.00000
O2 O 0.13857 0.87108 0.24190 1.00000
O3 O 0.93264 0.62758 0.08671 1.00000
O4 O 0.48956 0.62593 0.87394 1.00000
O5 O 0.69471 0.26422 0.75243 1.00000
O6 O 0.14390 0.47846 0.74886 1.00000
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