Na5InAu
Alexandria ALEXAlex-ID: agm003760367 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_366_spg15
Na3Au Na2In
2022-04-19 19:00:57.940388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003760367).
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 agm003760367
data_agm003760367
_cell_length_a 6.15324
_cell_length_b 6.15324
_cell_length_c 10.99372
_cell_angle_alpha 96.86044
_cell_angle_beta 96.86044
_cell_angle_gamma 88.15249
_cell_volume 410.24025
_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 0.01838 0.59322 0.17210 1.00000
Na2 Na 0.25061 0.48382 0.48468 1.00000
Na3 Na 0.59322 0.01838 0.67210 1.00000
Na4 Na 0.84758 0.15242 0.25000 1.00000
Na5 Na 0.51618 0.74939 0.01532 1.00000
Na6 Na 0.48382 0.25061 0.98468 1.00000
Na7 Na 0.15242 0.84758 0.75000 1.00000
Na8 Na 0.40678 0.98162 0.32790 1.00000
Na9 Na 0.74939 0.51618 0.51532 1.00000
Na10 Na 0.98162 0.40678 0.82790 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.50367 0.49633 0.25000 1.00000
Au2 Au 0.49633 0.50367 0.75000 1.00000
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