Na(AlAu4)2
Alexandria ALEXAlex-ID: agm005906830 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
Na2(AlAu3)3 Al3Au8 NaAu5
2023-09-27 11:11:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005906830).
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 agm005906830
data_agm005906830
_cell_length_a 4.20874
_cell_length_b 6.80775
_cell_length_c 7.59989
_cell_angle_alpha 110.56153
_cell_angle_beta 106.07497
_cell_angle_gamma 90.00000
_cell_volume 194.76128
_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 0.50000 0.00000 0.00000 1.00000
Al1 Al 0.21728 0.65867 0.43456 1.00000
Al2 Al 0.78272 0.34133 0.56544 1.00000
Au1 Au 0.60853 0.46944 0.21706 1.00000
Au2 Au 0.32041 0.06700 0.64082 1.00000
Au3 Au 0.15499 0.22937 0.30998 1.00000
Au4 Au 0.04447 0.72544 0.08894 1.00000
Au5 Au 0.84501 0.77063 0.69002 1.00000
Au6 Au 0.67959 0.93300 0.35918 1.00000
Au7 Au 0.39147 0.53056 0.78294 1.00000
Au8 Au 0.95553 0.27456 0.91106 1.00000
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