Cs2TiTe6
Alexandria ALEXAlex-ID: agm005709073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2292_spg12
Cs2Te3 Cs2Te5 Cs3Ti3Te11
2023-07-09 20:02:10.456695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709073).
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
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# CIF generated by HEAS from Alexandria entry agm005709073
data_agm005709073
_cell_length_a 4.99788
_cell_length_b 9.74329
_cell_length_c 9.32422
_cell_angle_alpha 121.49816
_cell_angle_beta 85.58493
_cell_angle_gamma 89.99999
_cell_volume 385.56848
_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
Cs1 Cs 0.47891 0.29795 0.59589 1.00000
Cs2 Cs 0.52109 0.70205 0.40411 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.95085 0.06232 0.73829 1.00000
Te2 Te 0.04915 0.32402 0.26171 1.00000
Te3 Te 0.04915 0.93768 0.26171 1.00000
Te4 Te 0.50000 0.17259 1.00000 1.00000
Te5 Te 0.95085 0.67598 0.73829 1.00000
Te6 Te 0.50000 0.82741 0.00000 1.00000
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