Ta3Nb5Au
Alexandria ALEXAlex-ID: agm072624813 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1240_spg1
Ta8Au TaNb14Au Ta3Au2
2024-09-24 15:19:12.454222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072624813).
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 agm072624813
data_agm072624813
_cell_length_a 5.47884
_cell_length_b 5.47884
_cell_length_c 8.66245
_cell_angle_alpha 58.12804
_cell_angle_beta 58.12804
_cell_angle_gamma 50.70333
_cell_volume 163.30575
_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 0.33546 0.33546 0.66604 1.00000
Ta2 Ta 0.88509 0.88509 0.44895 1.00000
Ta3 Ta 0.11012 0.11012 0.55247 1.00000
Nb1 Nb 0.66321 0.66321 0.33325 1.00000
Nb2 Nb 0.55646 0.55646 0.77078 1.00000
Nb3 Nb 0.44332 0.44332 0.23034 1.00000
Nb4 Nb 0.77214 0.77214 0.89067 1.00000
Nb5 Nb 0.22824 0.22824 0.10831 1.00000
Au1 Au 0.00090 0.00090 0.99919 1.00000
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