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Sr2In8Ge2Pt5

Alexandria ALEX

Alex-ID: agm009235113 · Space group: Cmmm (#65)

Basic Information

Formula
Sr2In8Ge2Pt5
Alex-ID
agm009235113
Elements
4
Sites
17
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
399.44
ų
Cell a
19.1512
Å
Cell b
19.1512
Å
Cell c
4.5905
Å
α angle
90.00
°
β angle
90.00
°
γ angle
166.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2In8Ge2Pt5
Sr
2.00 · 11.8%
In
8.00 · 47.1%
Ge
2.00 · 11.8%
Pt
5.00 · 29.4%

Energy & Stability

Energy above hull
0.0044
eV/atom
Formation energy
-0.5635
eV/atom
Corrected total energy
-74.7908
eV
Raw total energy
-74.7908
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0064
eV
DOS at Fermi level
7.8590
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5D8_8_spg65

Decomposition

SrIn8GePt4 SrGePt

Computed at

2024-08-25 00:06:37.410699

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: agm009235113).

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 agm009235113
data_agm009235113
_cell_length_a     19.15122
_cell_length_b     19.15122
_cell_length_c     4.59053
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  166.27605
_cell_volume       399.43949
_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
  Sr1 Sr 0.70167 0.29833 0.00000 1.00000
  Sr2 Sr 0.29833 0.70167 0.00000 1.00000
  In1 In 0.62722 0.37278 0.50000 1.00000
  In2 In 0.37278 0.62722 0.50000 1.00000
  In3 In 0.87347 0.12653 0.00000 1.00000
  In4 In 0.12653 0.87347 0.00000 1.00000
  In5 In 0.95799 0.04201 0.00000 1.00000
  In6 In 0.04201 0.95799 0.00000 1.00000
  In7 In 0.54233 0.45767 0.50000 1.00000
  In8 In 0.45767 0.54233 0.50000 1.00000
  Ge1 Ge 0.76726 0.23274 0.50000 1.00000
  Ge2 Ge 0.23274 0.76726 0.50000 1.00000
  Pt1 Pt 0.83144 0.16856 0.50000 1.00000
  Pt2 Pt 0.16856 0.83144 0.50000 1.00000
  Pt3 Pt 0.00000 0.00000 0.50000 1.00000
  Pt4 Pt 0.58517 0.41483 0.00000 1.00000
  Pt5 Pt 0.41483 0.58517 0.00000 1.00000
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