InTe6Au
Alexandria ALEXAlex-ID: agm003766211 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_430_spg2
In2Te5 Te2Au Te
2022-04-20 03:17:06.115093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003766211).
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
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# CIF generated by HEAS from Alexandria entry agm003766211
data_agm003766211
_cell_length_a 7.52072
_cell_length_b 8.34069
_cell_length_c 6.52257
_cell_angle_alpha 54.10906
_cell_angle_beta 55.03304
_cell_angle_gamma 57.96980
_cell_volume 259.72463
_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 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.02363 0.42173 0.74412 1.00000
Te2 Te 0.79874 0.03015 0.72978 1.00000
Te3 Te 0.56233 0.18603 0.27657 1.00000
Te4 Te 0.20126 0.96985 0.27022 1.00000
Te5 Te 0.97637 0.57827 0.25588 1.00000
Te6 Te 0.43767 0.81397 0.72343 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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