Na3Ge3Au2
Alexandria ALEXAlex-ID: agm005575111 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_8_spg62
NaGeAu NaGe
2023-06-06 02:26:14.977269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005575111).
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 agm005575111
data_agm005575111
_cell_length_a 5.67693
_cell_length_b 8.02884
_cell_length_c 15.89799
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 724.61730
_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 0.10283 0.45383 0.38466 1.00000
Na2 Na 0.60283 0.04617 0.61534 1.00000
Na3 Na 0.89717 0.54617 0.88466 1.00000
Na4 Na 0.39717 0.95383 0.11534 1.00000
Na5 Na 0.89717 0.54617 0.61534 1.00000
Na6 Na 0.39717 0.95383 0.38466 1.00000
Na7 Na 0.10283 0.45383 0.11534 1.00000
Na8 Na 0.60283 0.04617 0.88466 1.00000
Na9 Na 0.60895 0.29090 0.25000 1.00000
Na10 Na 0.10895 0.20910 0.75000 1.00000
Na11 Na 0.39105 0.70910 0.75000 1.00000
Na12 Na 0.89105 0.79090 0.25000 1.00000
Ge1 Ge 0.10794 0.14090 0.25000 1.00000
Ge2 Ge 0.60794 0.35910 0.75000 1.00000
Ge3 Ge 0.89206 0.85910 0.75000 1.00000
Ge4 Ge 0.39206 0.64090 0.25000 1.00000
Ge5 Ge 0.62391 0.30530 0.46933 1.00000
Ge6 Ge 0.12391 0.19470 0.53067 1.00000
Ge7 Ge 0.37609 0.69470 0.96933 1.00000
Ge8 Ge 0.87609 0.80530 0.03067 1.00000
Ge9 Ge 0.37609 0.69470 0.53067 1.00000
Ge10 Ge 0.87609 0.80530 0.46933 1.00000
Ge11 Ge 0.62391 0.30530 0.03067 1.00000
Ge12 Ge 0.12391 0.19470 0.96933 1.00000
Au1 Au 0.90057 0.08690 0.38721 1.00000
Au2 Au 0.40057 0.41310 0.61279 1.00000
Au3 Au 0.09943 0.91310 0.88721 1.00000
Au4 Au 0.59943 0.58690 0.11279 1.00000
Au5 Au 0.09943 0.91310 0.61279 1.00000
Au6 Au 0.59943 0.58690 0.38721 1.00000
Au7 Au 0.90057 0.08690 0.11279 1.00000
Au8 Au 0.40057 0.41310 0.88721 1.00000
