Na3In7Au4
Alexandria ALEXAlex-ID: agm005702131 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
NaInAu NaIn2Au In2Au
2023-06-29 17:19:39.029093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702131).
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 agm005702131
data_agm005702131
_cell_length_a 4.60744
_cell_length_b 8.75530
_cell_length_c 9.64781
_cell_angle_alpha 67.86626
_cell_angle_beta 76.18534
_cell_angle_gamma 74.74455
_cell_volume 343.53212
_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 0.30442 0.18944 0.20172 1.00000
Na2 Na 0.69558 0.81056 0.79828 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
In1 In 0.31686 0.83678 0.52951 1.00000
In2 In 0.50040 0.21137 0.78783 1.00000
In3 In 0.83947 0.38490 0.93616 1.00000
In4 In 0.68314 0.16322 0.47049 1.00000
In5 In 0.16053 0.61510 0.06384 1.00000
In6 In 0.00000 0.00000 0.00000 1.00000
In7 In 0.49960 0.78863 0.21217 1.00000
Au1 Au 0.66318 0.45132 0.22232 1.00000
Au2 Au 0.33682 0.54868 0.77768 1.00000
Au3 Au 0.87970 0.90317 0.33743 1.00000
Au4 Au 0.12030 0.09683 0.66257 1.00000
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