Te(HI3)2
Alexandria ALEXAlex-ID: agm005685482 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1186_spg15
TeI4 H6I I
2023-07-07 08:47:56.505511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685482).
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 agm005685482
data_agm005685482
_cell_length_a 7.31358
_cell_length_b 10.53783
_cell_length_c 10.53783
_cell_angle_alpha 82.13058
_cell_angle_beta 97.62680
_cell_angle_gamma 97.62681
_cell_volume 791.93250
_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
Te1 Te 0.25000 0.90408 0.09592 1.00000
Te2 Te 0.75000 0.09592 0.90408 1.00000
H1 H 0.20654 0.34762 0.39025 1.00000
H2 H 0.29346 0.60975 0.65238 1.00000
H3 H 0.79346 0.65238 0.60975 1.00000
H4 H 0.70654 0.39025 0.34762 1.00000
I1 I 0.38964 0.27921 0.46204 1.00000
I2 I 0.11036 0.53796 0.72079 1.00000
I3 I 0.61036 0.72079 0.53796 1.00000
I4 I 0.88964 0.46204 0.27921 1.00000
I5 I 0.86081 0.12390 0.65498 1.00000
I6 I 0.63919 0.34502 0.87610 1.00000
I7 I 0.13919 0.87610 0.34502 1.00000
I8 I 0.36081 0.65498 0.12390 1.00000
I9 I 0.12145 0.18634 0.03754 1.00000
I10 I 0.37855 0.96246 0.81366 1.00000
I11 I 0.87855 0.81366 0.96246 1.00000
I12 I 0.62145 0.03754 0.18634 1.00000
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