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Y4In5Rh2

Alexandria ALEX

Alex-ID: agm003366705 · Space group: P2/m (#10)

Basic Information

Formula
Y4In5Rh2
Alex-ID
agm003366705
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
269.15
ų
Cell a
3.6297
Å
Cell b
7.6996
Å
Cell c
9.6587
Å
α angle
94.37
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y4In5Rh2
Y
4.00 · 36.4%
In
5.00 · 45.5%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0513
eV/atom
Formation energy
-0.5939
eV/atom
Corrected total energy
-60.9359
eV
Raw total energy
-60.9359
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2415
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_19_spg10

Decomposition

Y3In5 Y11In9Rh4 Y3(In2Rh)2

Computed at

2022-02-05 19:13:53.508572

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: agm003366705).

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 agm003366705
data_agm003366705
_cell_length_a     3.62966
_cell_length_b     7.69963
_cell_length_c     9.65870
_cell_angle_alpha  94.36588
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       269.14852
_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
  Y1 Y 0.50000 0.78024 0.55726 1.00000
  Y2 Y 0.50000 0.17512 0.85171 1.00000
  Y3 Y 0.50000 0.21976 0.44274 1.00000
  Y4 Y 0.50000 0.82488 0.14829 1.00000
  In1 In 0.00000 0.54804 0.32452 1.00000
  In2 In 0.00000 0.17581 0.15122 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.00000 0.82419 0.84878 1.00000
  In5 In 0.00000 0.45196 0.67548 1.00000
  Rh1 Rh 0.00000 0.07417 0.64121 1.00000
  Rh2 Rh 0.00000 0.92583 0.35879 1.00000
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