NaGaAu4
Alexandria ALEXAlex-ID: agm005852736 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1094_spg63
GaAu2 NaAu2
2023-07-30 17:49:13.952801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005852736).
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 agm005852736
data_agm005852736
_cell_length_a 4.32725
_cell_length_b 5.80980
_cell_length_c 9.38545
_cell_angle_alpha 90.00000
_cell_angle_beta 103.32826
_cell_angle_gamma 90.00000
_cell_volume 229.59882
_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 0.09314 0.25000 0.18628 1.00000
Na2 Na 0.90686 0.75000 0.81372 1.00000
Ga1 Ga 0.21961 0.75000 0.43922 1.00000
Ga2 Ga 0.78039 0.25000 0.56078 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.50000 0.00000 0.00000 1.00000
Au3 Au 0.66590 0.99366 0.33181 1.00000
Au4 Au 0.33410 0.00634 0.66819 1.00000
Au5 Au 0.33410 0.49366 0.66819 1.00000
Au6 Au 0.66590 0.50634 0.33181 1.00000
Au7 Au 0.07154 0.75000 0.14308 1.00000
Au8 Au 0.92846 0.25000 0.85692 1.00000
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