Na(In2Ag3)2
Alexandria ALEXAlex-ID: agm003662014 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
InAg7 Na(InAg)6 NaIn2Ag
2022-04-08 11:57:51.226540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662014).
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 agm003662014
data_agm003662014
_cell_length_a 7.29322
_cell_length_b 7.29322
_cell_length_c 7.29322
_cell_angle_alpha 85.87333
_cell_angle_beta 122.41046
_cell_angle_gamma 122.41046
_cell_volume 263.57106
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.09715 0.53172 1.00000
In2 In 0.56543 0.46828 0.46828 1.00000
In3 In 0.00000 0.53172 0.09715 1.00000
In4 In 0.43457 0.90285 0.90285 1.00000
Ag1 Ag 0.00000 0.74837 0.42374 1.00000
Ag2 Ag 0.00000 0.42374 0.74837 1.00000
Ag3 Ag 0.67536 0.25163 0.25163 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.32464 0.57626 0.57626 1.00000
Ag6 Ag 0.50000 0.50000 0.00000 1.00000
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