Cr2Te3I
Alexandria ALEXAlex-ID: agm005698224 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2203_spg166
CrTe2 Cr5Te8 CrI3
2023-08-17 11:48:48.287880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698224).
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 agm005698224
data_agm005698224
_cell_length_a 7.72774
_cell_length_b 7.72774
_cell_length_c 8.02757
_cell_angle_alpha 61.22808
_cell_angle_beta 61.22808
_cell_angle_gamma 59.99999
_cell_volume 345.13628
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.50000 0.00000 0.00000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
Cr4 Cr 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.24576 0.74338 0.76511 1.00000
Te2 Te 0.74338 0.24576 0.76511 1.00000
Te3 Te 0.24576 0.24576 0.76511 1.00000
Te4 Te 0.25662 0.75424 0.23489 1.00000
Te5 Te 0.75424 0.25662 0.23489 1.00000
Te6 Te 0.75424 0.75424 0.23489 1.00000
I1 I 0.25475 0.25475 0.23576 1.00000
I2 I 0.74525 0.74525 0.76424 1.00000
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