Nb6Ga3Au
Alexandria ALEXAlex-ID: agm003580296 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_268_spg14
Nb3Au2 Nb3Ga2
2022-03-29 05:45:40.658453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003580296).
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 agm003580296
data_agm003580296
_cell_length_a 7.84463
_cell_length_b 6.56612
_cell_length_c 7.05611
_cell_angle_alpha 90.00000
_cell_angle_beta 84.35996
_cell_angle_gamma 90.00000
_cell_volume 361.69226
_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
Nb1 Nb 0.64594 0.12519 0.94951 1.00000
Nb2 Nb 0.70628 0.17179 0.57114 1.00000
Nb3 Nb 0.80575 0.36175 0.23191 1.00000
Nb4 Nb 0.19425 0.63825 0.76809 1.00000
Nb5 Nb 0.29372 0.82821 0.42886 1.00000
Nb6 Nb 0.35406 0.87481 0.05049 1.00000
Nb7 Nb 0.14594 0.37481 0.44951 1.00000
Nb8 Nb 0.20628 0.32821 0.07114 1.00000
Nb9 Nb 0.30575 0.13825 0.73191 1.00000
Nb10 Nb 0.69425 0.86175 0.26809 1.00000
Nb11 Nb 0.79372 0.67179 0.92886 1.00000
Nb12 Nb 0.85406 0.62519 0.55049 1.00000
Ga1 Ga 0.54690 0.81903 0.69958 1.00000
Ga2 Ga 0.50000 0.50000 0.00000 1.00000
Ga3 Ga 0.45310 0.18097 0.30042 1.00000
Ga4 Ga 0.04690 0.68097 0.19958 1.00000
Ga5 Ga 0.00000 0.00000 0.50000 1.00000
Ga6 Ga 0.95310 0.31903 0.80042 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
