Navigation

HEAS Data Platform · Materials Science Database

Ac8In4Sn

Alexandria ALEX

Alex-ID: agm097728812 · Space group: Pm (#6)

Basic Information

Formula
Ac8In4Sn
Alex-ID
agm097728812
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
500.61
ų
Cell a
4.8892
Å
Cell b
11.0772
Å
Cell c
10.4056
Å
α angle
62.66
°
β angle
89.99
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8In4Sn
Ac
8.00 · 61.5%
In
4.00 · 30.8%
Sn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1203
eV/atom
Formation energy
-0.2755
eV/atom
Corrected total energy
-51.5303
eV
Raw total energy
-51.5303
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0291
eV
DOS at Fermi level
15.1850
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB4C8_791_spg191

Decomposition

Ac5In3 Ac4Sn3

Computed at

2025-06-21 21:49:51

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: agm097728812).

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 agm097728812
data_agm097728812
_cell_length_a     4.88924
_cell_length_b     11.07715
_cell_length_c     10.40565
_cell_angle_alpha  62.66051
_cell_angle_beta   89.99323
_cell_angle_gamma  89.99456
_cell_volume       500.60938
_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
  Ac1 Ac 0.30765 0.17367 0.18766 1.00000
  Ac2 Ac 0.30779 0.59427 0.12697 1.00000
  Ac3 Ac 0.30764 0.71939 0.67040 1.00000
  Ac4 Ac 0.30769 0.13252 0.68840 1.00000
  Ac5 Ac 0.80762 0.78477 0.32941 1.00000
  Ac6 Ac 0.80774 0.34100 0.37652 1.00000
  Ac7 Ac 0.80766 0.41329 0.72428 1.00000
  Ac8 Ac 0.80769 0.83921 0.86410 1.00000
  In1 In 0.80762 0.09795 0.98193 1.00000
  In2 In 0.80793 0.46782 0.00629 1.00000
  In3 In 0.30772 0.51938 0.48074 1.00000
  In4 In 0.80766 0.99797 0.49505 1.00000
  Sn1 Sn 0.30759 0.91875 0.06826 1.00000
Get direct link