GeTe3I
Alexandria ALEXAlex-ID: agm003718643 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5865_spg1
GeTe Te GeI2
2022-04-16 00:10:20.532421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003718643).
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 agm003718643
data_agm003718643
_cell_length_a 7.81140
_cell_length_b 7.79854
_cell_length_c 6.37439
_cell_angle_alpha 104.77490
_cell_angle_beta 87.20508
_cell_angle_gamma 80.08979
_cell_volume 368.11591
_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
Ge1 Ge 0.20544 0.90215 0.63890 1.00000
Ge2 Ge 0.60635 0.54712 0.19902 1.00000
Te1 Te 0.38761 0.31303 0.27538 1.00000
Te2 Te 0.32319 0.81783 0.20179 1.00000
Te3 Te 0.08896 0.59903 0.37739 1.00000
Te4 Te 0.86088 0.06110 0.60285 1.00000
Te5 Te 0.91557 0.45846 0.70982 1.00000
Te6 Te 0.64457 0.70954 0.62951 1.00000
I1 I 0.37285 0.29297 0.76709 1.00000
I2 I 0.85081 0.06267 0.10596 1.00000
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