Na(GaAu3)2
Alexandria ALEXAlex-ID: agm005657580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_653_spg12
GaAu2 NaAu2
2023-07-08 19:53:13.045233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657580).
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 agm005657580
data_agm005657580
_cell_length_a 5.50512
_cell_length_b 5.92003
_cell_length_c 5.92002
_cell_angle_alpha 69.27448
_cell_angle_beta 82.49386
_cell_angle_gamma 82.49383
_cell_volume 178.16192
_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
Na1 Na 1.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.16144 0.59802 0.59802 1.00000
Ga2 Ga 0.83856 0.40198 0.40198 1.00000
Au1 Au 0.24181 0.06309 0.48920 1.00000
Au2 Au 0.75820 0.93691 0.51080 1.00000
Au3 Au 0.75820 0.51080 0.93691 1.00000
Au4 Au 0.50000 0.77662 0.22338 1.00000
Au5 Au 0.50000 0.22338 0.77662 1.00000
Au6 Au 0.24181 0.48920 0.06309 1.00000
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