Ni(Te3Au)2
Alexandria ALEXAlex-ID: agm005758447 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2968_spg15
Te2Au NiTe2
2023-07-09 00:33:48.120604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758447).
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 agm005758447
data_agm005758447
_cell_length_a 7.32422
_cell_length_b 8.37252
_cell_length_c 8.37252
_cell_angle_alpha 92.52871
_cell_angle_beta 78.98577
_cell_angle_gamma 78.98577
_cell_volume 492.94604
_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
Ni1 Ni 0.25000 0.06991 0.93009 1.00000
Ni2 Ni 0.75000 0.93009 0.06991 1.00000
Te1 Te 0.32870 0.75213 0.49130 1.00000
Te2 Te 0.17130 0.50870 0.24787 1.00000
Te3 Te 0.67130 0.24787 0.50870 1.00000
Te4 Te 0.82870 0.49130 0.75213 1.00000
Te5 Te 0.85500 0.92886 0.34503 1.00000
Te6 Te 0.64500 0.65497 0.07114 1.00000
Te7 Te 0.14500 0.07114 0.65497 1.00000
Te8 Te 0.35500 0.34503 0.92886 1.00000
Te9 Te 0.10929 0.80730 0.96736 1.00000
Te10 Te 0.39071 0.03264 0.19270 1.00000
Te11 Te 0.89071 0.19270 0.03264 1.00000
Te12 Te 0.60929 0.96736 0.80730 1.00000
Au1 Au 0.19606 0.55197 0.71389 1.00000
Au2 Au 0.30394 0.28611 0.44803 1.00000
Au3 Au 0.80394 0.44803 0.28611 1.00000
Au4 Au 0.69606 0.71389 0.55197 1.00000
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