Te6Rh2Au
Alexandria ALEXAlex-ID: agm005823902 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_9_spg164
Te4RhAu Te2Rh
2023-07-09 07:33:57.940057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005823902).
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 agm005823902
data_agm005823902
_cell_length_a 5.39753
_cell_length_b 12.29074
_cell_length_c 12.29074
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 706.12507
_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
Te1 Te 0.26877 0.91427 0.45713 1.00000
Te2 Te 0.26877 0.54287 0.08573 1.00000
Te3 Te 0.26877 0.54287 0.45713 1.00000
Te4 Te 0.73123 0.45713 0.54287 1.00000
Te5 Te 0.73123 0.45713 0.91427 1.00000
Te6 Te 0.73123 0.08573 0.54287 1.00000
Te7 Te 0.73497 0.41897 0.20949 1.00000
Te8 Te 0.73497 0.79051 0.58103 1.00000
Te9 Te 0.73497 0.79051 0.20949 1.00000
Te10 Te 0.74308 0.76573 0.88287 1.00000
Te11 Te 0.74308 0.11713 0.23427 1.00000
Te12 Te 0.74308 0.11713 0.88287 1.00000
Te13 Te 0.25692 0.88287 0.11713 1.00000
Te14 Te 0.25692 0.88287 0.76573 1.00000
Te15 Te 0.25692 0.23427 0.11713 1.00000
Te16 Te 0.26503 0.58103 0.79051 1.00000
Te17 Te 0.26503 0.20949 0.41897 1.00000
Te18 Te 0.26503 0.20949 0.79051 1.00000
Rh1 Rh 0.00000 0.00000 0.33392 1.00000
Rh2 Rh 0.00000 0.66608 0.66608 1.00000
Rh3 Rh 0.00000 0.33392 1.00000 1.00000
Rh4 Rh 0.00000 1.00000 0.66608 1.00000
Rh5 Rh 0.00000 0.33392 0.33392 1.00000
Rh6 Rh 0.00000 0.66608 0.00000 1.00000
Au1 Au 0.51664 0.66667 0.33333 1.00000
Au2 Au 0.48336 0.33333 0.66667 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
