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Sr8In4Rh

Alexandria ALEX

Alex-ID: agm097978035 · Space group: Amm2 (#38)

Basic Information

Formula
Sr8In4Rh
Alex-ID
agm097978035
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
497.59
ų
Cell a
4.5201
Å
Cell b
11.6756
Å
Cell c
10.5772
Å
α angle
63.05
°
β angle
90.00
°
γ angle
90.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8In4Rh
Sr
8.00 · 61.5%
In
4.00 · 30.8%
Rh
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0808
eV/atom
Formation energy
-0.2568
eV/atom
Corrected total energy
-35.2846
eV
Raw total energy
-35.2845
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1919
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_392_spg12

Decomposition

Sr3(InRh)2 SrIn Sr28In11

Computed at

2025-06-19 05:18:22

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: agm097978035).

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 agm097978035
data_agm097978035
_cell_length_a     4.52005
_cell_length_b     11.67558
_cell_length_c     10.57719
_cell_angle_alpha  63.05095
_cell_angle_beta   90.00048
_cell_angle_gamma  90.04480
_cell_volume       497.58734
_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 0.73056 0.13389 0.17899 1.00000
  Sr2 Sr 0.72855 0.63998 0.17986 1.00000
  Sr3 Sr 0.73015 0.73752 0.63134 1.00000
  Sr4 Sr 0.73046 0.13421 0.68703 1.00000
  Sr5 Sr 0.22963 0.81822 0.30003 1.00000
  Sr6 Sr 0.23020 0.34399 0.32783 1.00000
  Sr7 Sr 0.23295 0.40073 0.79958 1.00000
  Sr8 Sr 0.22944 0.81859 0.88163 1.00000
  In1 In 0.23044 0.06712 0.96647 1.00000
  In2 In 0.73363 0.48712 0.99094 1.00000
  In3 In 0.73372 0.48743 0.52170 1.00000
  In4 In 0.23011 0.00412 0.49802 1.00000
  Rh1 Rh 0.73017 0.92708 0.03657 1.00000
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