Te5(HAu2)2
Alexandria ALEXAlex-ID: agm005678841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_827_spg12
Te2Au TeHAu TeAu
2023-06-21 15:12:09.014266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678841).
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 agm005678841
data_agm005678841
_cell_length_a 3.12070
_cell_length_b 9.47774
_cell_length_c 11.89831
_cell_angle_alpha 48.87692
_cell_angle_beta 97.53550
_cell_angle_gamma 89.99999
_cell_volume 261.05189
_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 0.14892 0.11962 0.29784 1.00000
Te2 Te 0.85108 0.88038 0.70216 1.00000
Te3 Te 0.21907 0.71468 0.43814 1.00000
Te4 Te 0.50000 0.00000 0.00000 1.00000
Te5 Te 0.78093 0.28532 0.56186 1.00000
H1 H 0.53794 0.56918 0.07588 1.00000
H2 H 0.46206 0.43082 0.92412 1.00000
Au1 Au 0.63655 0.44209 0.27309 1.00000
Au2 Au 0.00118 0.26791 0.00236 1.00000
Au3 Au 0.36345 0.55791 0.72691 1.00000
Au4 Au 0.99882 0.73209 0.99764 1.00000
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