In3TeI7
Alexandria ALEXAlex-ID: agm005961449 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_240_spg8
InTeI InI3
2023-08-11 23:36:37.846540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961449).
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 agm005961449
data_agm005961449
_cell_length_a 8.52672
_cell_length_b 8.52160
_cell_length_c 8.52622
_cell_angle_alpha 75.41502
_cell_angle_beta 59.99833
_cell_angle_gamma 59.98003
_cell_volume 464.54199
_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
In1 In 0.05827 0.27001 0.61345 1.00000
In2 In 0.58448 0.74359 0.61596 1.00000
In3 In 0.05597 0.74359 0.61596 1.00000
Te1 Te 0.78393 0.58343 0.84871 1.00000
I1 I 0.35200 0.92265 0.37336 1.00000
I2 I 0.28878 0.59326 0.82918 1.00000
I3 I 0.85718 0.91390 0.37173 1.00000
I4 I 0.28774 0.08241 0.83166 1.00000
I5 I 0.79820 0.08241 0.83166 1.00000
I6 I 0.34949 0.42365 0.36856 1.00000
I7 I 0.85830 0.42365 0.36856 1.00000
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