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Na3Ag7Sb2

Alexandria ALEX

Alex-ID: agm101360554 · Space group: R-3m (#166)

Basic Information

Formula
Na3Ag7Sb2
Alex-ID
agm101360554
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
274.88
ų
Cell a
10.2489
Å
Cell b
10.2489
Å
Cell c
10.2489
Å
α angle
32.41
°
β angle
32.41
°
γ angle
32.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Na3Ag7Sb2
Na
3.00 · 25.0%
Ag
7.00 · 58.3%
Sb
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1471
eV/atom
Formation energy
-0.0343
eV/atom
Corrected total energy
-32.5723
eV
Raw total energy
-32.5723
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0189
eV
DOS at Fermi level
3.4039
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_69_spg12

Decomposition

NaAgSb Na2AgSb Ag

Computed at

2025-05-17 02:53:32

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101360554).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm101360554
data_agm101360554
_cell_length_a     10.24894
_cell_length_b     10.24894
_cell_length_c     10.24894
_cell_angle_alpha  32.40507
_cell_angle_beta   32.40507
_cell_angle_gamma  32.40507
_cell_volume       274.87789
_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
  Na2 Na 0.85514 0.85514 0.85514 1.00000
  Na3 Na 0.14486 0.14486 0.14486 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Ag2 Ag 0.41186 0.41186 0.91391 1.00000
  Ag3 Ag 0.91391 0.41186 0.41186 1.00000
  Ag4 Ag 0.41186 0.91391 0.41186 1.00000
  Ag5 Ag 0.58814 0.58814 0.08609 1.00000
  Ag6 Ag 0.58814 0.08609 0.58814 1.00000
  Ag7 Ag 0.08609 0.58814 0.58814 1.00000
  Sb1 Sb 0.66862 0.66862 0.66862 1.00000
  Sb2 Sb 0.33138 0.33138 0.33138 1.00000
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