Navigation

HEAS Data Platform · Materials Science Database

In3Ag10

Alexandria ALEX

Alex-ID: agm007757668 · Space group: P6_3/m (#176)

Alexandria Database API

Basic Information

Formula
In3Ag10
Alex-ID
agm007757668
Elements
2
Sites
26
Space group
P6_3/m (#176)
Crystal system
hexagonal
Volume
491.40
ų
Cell a
10.8248
Å
Cell b
10.8248
Å
Cell c
4.8425
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In3Ag10
In
6.00 · 23.1%
Ag
20.00 · 76.9%

Energy & Stability

Energy above hull
0.0017
eV/atom
Formation energy
-0.0235
eV/atom
Corrected total energy
-74.2543
eV
Raw total energy
-74.2543
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6410
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B10_0_spg176

Decomposition

InAg7 In2Ag5

Computed at

2025-01-17 15:20:22

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: agm007757668).

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 agm007757668
data_agm007757668
_cell_length_a     10.82478
_cell_length_b     10.82478
_cell_length_c     4.84249
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       491.40242
_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
  In1 In 0.10386 0.36145 0.25000 1.00000
  In2 In 0.63855 0.74241 0.25000 1.00000
  In3 In 0.25759 0.89614 0.25000 1.00000
  In4 In 0.89614 0.63855 0.75000 1.00000
  In5 In 0.36145 0.25759 0.75000 1.00000
  In6 In 0.74241 0.10386 0.75000 1.00000
  Ag1 Ag 0.33333 0.66667 0.25000 1.00000
  Ag2 Ag 0.66667 0.33333 0.75000 1.00000
  Ag3 Ag 0.17716 0.12603 0.25000 1.00000
  Ag4 Ag 0.87397 0.05113 0.25000 1.00000
  Ag5 Ag 0.94887 0.82284 0.25000 1.00000
  Ag6 Ag 0.82284 0.87397 0.75000 1.00000
  Ag7 Ag 0.12603 0.94887 0.75000 1.00000
  Ag8 Ag 0.05113 0.17716 0.75000 1.00000
  Ag9 Ag 0.41155 0.43591 0.25000 1.00000
  Ag10 Ag 0.56409 0.97564 0.25000 1.00000
  Ag11 Ag 0.02436 0.58845 0.25000 1.00000
  Ag12 Ag 0.58845 0.56409 0.75000 1.00000
  Ag13 Ag 0.43591 0.02436 0.75000 1.00000
  Ag14 Ag 0.97564 0.41155 0.75000 1.00000
  Ag15 Ag 0.48960 0.20651 0.25000 1.00000
  Ag16 Ag 0.79349 0.28309 0.25000 1.00000
  Ag17 Ag 0.71691 0.51040 0.25000 1.00000
  Ag18 Ag 0.51040 0.79349 0.75000 1.00000
  Ag19 Ag 0.20651 0.71691 0.75000 1.00000
  Ag20 Ag 0.28309 0.48960 0.75000 1.00000
Get direct link