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In8Rh4I

Alexandria ALEX

Alex-ID: agm097698148 · Space group: Pm (#6)

Basic Information

Formula
In8Rh4I
Alex-ID
agm097698148
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
287.77
ų
Cell a
4.2648
Å
Cell b
9.2811
Å
Cell c
8.7590
Å
α angle
56.10
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In8Rh4I
In
8.00 · 61.5%
Rh
4.00 · 30.8%
I
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1917
eV/atom
Formation energy
-0.1638
eV/atom
Corrected total energy
-55.2428
eV
Raw total energy
-55.2428
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6214
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_785_spg1

Decomposition

In5Rh4 In3Rh InI

Computed at

2025-06-18 06:37:08

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: agm097698148).

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 agm097698148
data_agm097698148
_cell_length_a     4.26480
_cell_length_b     9.28105
_cell_length_c     8.75905
_cell_angle_alpha  56.10133
_cell_angle_beta   89.99619
_cell_angle_gamma  89.99831
_cell_volume       287.76898
_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 0.69226 0.22607 0.18364 1.00000
  In2 In 0.69225 0.61046 0.10868 1.00000
  In3 In 0.69238 0.60624 0.75752 1.00000
  In4 In 0.69224 0.15826 0.58251 1.00000
  In5 In 0.19307 0.82340 0.40477 1.00000
  In6 In 0.19215 0.42369 0.38726 1.00000
  In7 In 0.19227 0.39286 0.74747 1.00000
  In8 In 0.19240 0.84096 0.77521 1.00000
  Rh1 Rh 0.19218 0.77552 0.12731 1.00000
  Rh2 Rh 0.19213 0.47055 0.02094 1.00000
  Rh3 Rh 0.69191 0.55053 0.48192 1.00000
  Rh4 Rh 0.19219 0.10964 0.42357 1.00000
  I1 I 0.69257 0.01182 0.99919 1.00000
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