In6TeAu2
Alexandria ALEXAlex-ID: agm097604462 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3039_spg2
InTe In2Au In
2025-04-07 00:40:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097604462).
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 agm097604462
data_agm097604462
_cell_length_a 5.37813
_cell_length_b 5.21643
_cell_length_c 9.33475
_cell_angle_alpha 88.10572
_cell_angle_beta 85.21622
_cell_angle_gamma 84.59270
_cell_volume 259.72568
_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 0.55224 0.42163 0.08615 1.00000
In2 In 0.47404 0.61443 0.48657 1.00000
In3 In 0.24905 0.95455 0.79419 1.00000
In4 In 0.31320 0.92818 0.20108 1.00000
In5 In 0.78819 0.09248 0.57969 1.00000
In6 In 0.97729 0.49155 0.30731 1.00000
Te1 Te 0.79199 0.58898 0.79144 1.00000
Au1 Au 0.06533 0.27454 0.02096 1.00000
Au2 Au 0.28867 0.13367 0.48261 1.00000
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