Na3Ag6Sb5
Alexandria ALEXAlex-ID: agm005707585 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_17_spg59
NaAgSb Sb Ag
2023-07-02 10:28:19.876576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707585).
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 agm005707585
data_agm005707585
_cell_length_a 4.72517
_cell_length_b 9.94646
_cell_length_c 14.47618
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 680.36220
_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 0.23447 0.68278 1.00000
Na2 Na 0.50000 0.76553 0.18278 1.00000
Na3 Na 0.50000 0.76553 0.81722 1.00000
Na4 Na 0.00000 0.21804 0.00000 1.00000
Na5 Na 0.50000 0.78196 0.50000 1.00000
Na6 Na 0.00000 0.23447 0.31722 1.00000
Ag1 Ag 0.00000 0.99999 0.82568 1.00000
Ag2 Ag 0.50000 0.00001 0.67432 1.00000
Ag3 Ag 0.50000 0.42976 0.80487 1.00000
Ag4 Ag 0.50000 0.45599 0.00000 1.00000
Ag5 Ag 0.00000 0.54401 0.50000 1.00000
Ag6 Ag 0.00000 0.57024 0.69513 1.00000
Ag7 Ag 0.00000 0.57024 0.30487 1.00000
Ag8 Ag 0.50000 0.96793 1.00000 1.00000
Ag9 Ag 0.00000 0.99999 0.17432 1.00000
Ag10 Ag 0.50000 0.42976 0.19513 1.00000
Ag11 Ag 0.00000 0.03207 0.50000 1.00000
Ag12 Ag 0.50000 0.00001 0.32568 1.00000
Sb1 Sb 0.00000 0.54574 0.88780 1.00000
Sb2 Sb 0.00000 0.84837 0.65574 1.00000
Sb3 Sb 0.00000 0.80404 1.00000 1.00000
Sb4 Sb 0.50000 0.45426 0.61220 1.00000
Sb5 Sb 0.50000 0.19596 0.50000 1.00000
Sb6 Sb 0.00000 0.54574 0.11220 1.00000
Sb7 Sb 0.50000 0.45426 0.38780 1.00000
Sb8 Sb 0.00000 0.84837 0.34426 1.00000
Sb9 Sb 0.50000 0.15163 0.84426 1.00000
Sb10 Sb 0.50000 0.15163 0.15574 1.00000
