Fe2Te2I7
Alexandria ALEXAlex-ID: agm005569014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_743_spg12
TeI4 FeTe2 FeI2
2023-06-04 15:51:55.814500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569014).
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 agm005569014
data_agm005569014
_cell_length_a 7.53659
_cell_length_b 7.53659
_cell_length_c 16.52222
_cell_angle_alpha 110.80633
_cell_angle_beta 110.80627
_cell_angle_gamma 117.82946
_cell_volume 602.30460
_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
Fe1 Fe 0.56998 0.56998 0.29780 1.00000
Fe2 Fe 0.43002 0.43002 0.70220 1.00000
Te1 Te 0.60760 0.39240 0.00000 1.00000
Te2 Te 0.39240 0.60760 1.00000 1.00000
I1 I 0.30612 0.61896 0.80753 1.00000
I2 I 0.38104 0.69388 0.19247 1.00000
I3 I 0.69388 0.38104 0.19247 1.00000
I4 I 0.61896 0.30612 0.80753 1.00000
I5 I 0.00000 0.00000 0.50000 1.00000
I6 I 0.26541 0.26541 0.30791 1.00000
I7 I 0.73459 0.73459 0.69209 1.00000
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