Ti2Te4Cl2O11
Alexandria ALEXAlex-ID: agm009276708 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C4D11_24_spg2
TiO2 TeO2 TeCl4
2024-06-05 12:09:23.621621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009276708).
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 agm009276708
data_agm009276708
_cell_length_a 7.50964
_cell_length_b 10.92172
_cell_length_c 9.56475
_cell_angle_alpha 97.55830
_cell_angle_beta 96.13098
_cell_angle_gamma 107.10421
_cell_volume 734.45749
_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
Ti1 Ti 0.18764 0.00148 0.51793 1.00000
Ti2 Ti 0.81236 0.99852 0.48207 1.00000
Ti3 Ti 0.48914 0.60181 0.79957 1.00000
Ti4 Ti 0.51086 0.39819 0.20043 1.00000
Te1 Te 0.81795 0.90815 0.89532 1.00000
Te2 Te 0.18205 0.09185 0.10468 1.00000
Te3 Te 0.42060 0.75218 0.49066 1.00000
Te4 Te 0.57940 0.24782 0.50934 1.00000
Te5 Te 0.05076 0.37945 0.22501 1.00000
Te6 Te 0.94924 0.62055 0.77499 1.00000
Te7 Te 0.88586 0.65290 0.16033 1.00000
Te8 Te 0.11414 0.34710 0.83967 1.00000
Cl1 Cl 0.72161 0.61779 0.40448 1.00000
Cl2 Cl 0.27839 0.38221 0.59552 1.00000
Cl3 Cl 0.46369 0.12158 0.72652 1.00000
Cl4 Cl 0.53631 0.87842 0.27348 1.00000
O1 O 0.39545 0.69041 0.67610 1.00000
O2 O 0.60455 0.30959 0.32390 1.00000
O3 O 0.24850 0.84747 0.52658 1.00000
O4 O 0.75150 0.15253 0.47342 1.00000
O5 O 0.94688 0.92019 0.08347 1.00000
O6 O 0.05312 0.07981 0.91653 1.00000
O7 O 0.31764 0.45559 0.26741 1.00000
O8 O 0.68236 0.54441 0.73259 1.00000
O9 O 0.06595 0.58437 0.24571 1.00000
O10 O 0.93405 0.41563 0.75429 1.00000
O11 O 0.99628 0.63836 0.97774 1.00000
O12 O 0.00372 0.36164 0.02226 1.00000
O13 O 0.02035 0.05764 0.62178 1.00000
O14 O 0.97965 0.94236 0.37822 1.00000
O15 O 0.05246 0.19050 0.21240 1.00000
O16 O 0.94754 0.80950 0.78760 1.00000
O17 O 0.34781 0.11655 0.41839 1.00000
O18 O 0.65219 0.88345 0.58161 1.00000
O19 O 0.68586 0.49196 0.09435 1.00000
O20 O 0.31414 0.50804 0.90565 1.00000
O21 O 0.64006 0.73381 0.93319 1.00000
O22 O 0.35994 0.26619 0.06681 1.00000
