In2Te
Alexandria ALEXAlex-ID: agm012614636 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_8389_spg62
InTe In
2025-04-14 02:59:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012614636).
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 agm012614636
data_agm012614636
_cell_length_a 5.92598
_cell_length_b 8.89484
_cell_length_c 14.00923
_cell_angle_alpha 89.98868
_cell_angle_beta 90.01232
_cell_angle_gamma 90.00147
_cell_volume 738.43636
_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 0.24997 0.45110 0.44040 1.00000
In2 In 0.25005 0.95108 0.05978 1.00000
In3 In 0.25007 0.40752 0.09672 1.00000
In4 In 0.25000 0.90739 0.40359 1.00000
In5 In 0.24987 0.43542 0.71208 1.00000
In6 In 0.25009 0.93572 0.78802 1.00000
In7 In 0.74993 0.06427 0.21202 1.00000
In8 In 0.75008 0.56460 0.28788 1.00000
In9 In 0.74999 0.09257 0.59635 1.00000
In10 In 0.74991 0.59243 0.90331 1.00000
In11 In 0.74999 0.04893 0.94021 1.00000
In12 In 0.75004 0.54890 0.55962 1.00000
In13 In 0.25002 0.23965 0.89940 1.00000
In14 In 0.25005 0.73948 0.60096 1.00000
In15 In 0.74998 0.26057 0.39904 1.00000
In16 In 0.75003 0.76040 0.10060 1.00000
Te1 Te 0.25012 0.17933 0.27599 1.00000
Te2 Te 0.25000 0.67950 0.22407 1.00000
Te3 Te 0.24995 0.15183 0.57820 1.00000
Te4 Te 0.24999 0.65181 0.92186 1.00000
Te5 Te 0.74998 0.34817 0.07815 1.00000
Te6 Te 0.75002 0.84814 0.42180 1.00000
Te7 Te 0.74996 0.32050 0.77592 1.00000
Te8 Te 0.74990 0.82068 0.72404 1.00000
