Ta8Au
Alexandria ALEXAlex-ID: agm005504580 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_3_spg139
Ta7Au Ta
2023-03-19 15:39:04.732608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504580).
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 agm005504580
data_agm005504580
_cell_length_a 7.09478
_cell_length_b 7.09478
_cell_length_c 7.09478
_cell_angle_alpha 93.39613
_cell_angle_beta 93.39613
_cell_angle_gamma 151.82650
_cell_volume 163.54215
_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
Ta1 Ta 0.33149 0.00000 0.33149 1.00000
Ta2 Ta 0.66851 0.00000 0.66851 1.00000
Ta3 Ta 0.00000 0.66851 0.66851 1.00000
Ta4 Ta 0.33087 0.66913 0.00000 1.00000
Ta5 Ta 0.66913 0.66913 0.33825 1.00000
Ta6 Ta 0.00000 0.33149 0.33149 1.00000
Ta7 Ta 0.33087 0.33087 0.66175 1.00000
Ta8 Ta 0.66913 0.33087 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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