InTeCl
Alexandria ALEXAlex-ID: agm074889136 · Space group: P6_1 (#169)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_14652_spg176
InTeCl
2025-01-14 13:43:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074889136).
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 agm074889136
data_agm074889136
_cell_length_a 4.34789
_cell_length_b 14.24145
_cell_length_c 14.26807
_cell_angle_alpha 119.94388
_cell_angle_beta 90.04864
_cell_angle_gamma 89.92128
_cell_volume 765.54931
_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 0.71389 0.49277 0.23342 1.00000
In2 In 0.38112 0.74029 0.50733 1.00000
In3 In 0.04517 0.76727 0.26019 1.00000
In4 In 0.21520 0.50730 0.76609 1.00000
In5 In 0.88386 0.25917 0.49267 1.00000
In6 In 0.55003 0.23314 0.74032 1.00000
Te1 Te 0.72761 0.48414 0.62520 1.00000
Te2 Te 0.39651 0.14110 0.51561 1.00000
Te3 Te 0.06202 0.37413 0.85802 1.00000
Te4 Te 0.22684 0.51536 0.37410 1.00000
Te5 Te 0.89259 0.85867 0.48483 1.00000
Te6 Te 0.55807 0.62645 0.14212 1.00000
Cl1 Cl 0.95613 0.23888 0.31900 1.00000
Cl2 Cl 0.62505 0.07978 0.76109 1.00000
Cl3 Cl 0.29245 0.68094 0.91918 1.00000
Cl4 Cl 0.45404 0.76037 0.68093 1.00000
Cl5 Cl 0.12045 0.92088 0.23995 1.00000
Cl6 Cl 0.79103 0.31934 0.07994 1.00000
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