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Ho4InGe4Rh

Alexandria ALEX

Alex-ID: agm022021981 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ho4InGe4Rh
Alex-ID
agm022021981
Elements
4
Sites
20
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
428.03
ų
Cell a
10.3650
Å
Cell b
10.3650
Å
Cell c
10.2981
Å
α angle
75.27
°
β angle
75.27
°
γ angle
23.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4InGe4Rh
Ho
8.00 · 40.0%
In
2.00 · 10.0%
Ge
8.00 · 40.0%
Rh
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8434
eV/atom
Corrected total energy
-110.6129
eV
Raw total energy
-110.6129
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0675
eV
DOS at Fermi level
7.1671
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4D4_11_spg12

Decomposition

Ho4InGe4Rh

Computed at

2024-11-09 21:02:08.192760

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: agm022021981).

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 agm022021981
data_agm022021981
_cell_length_a     10.36501
_cell_length_b     10.36501
_cell_length_c     10.29811
_cell_angle_alpha  75.27442
_cell_angle_beta   75.27442
_cell_angle_gamma  23.61744
_cell_volume       428.03279
_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
  Ho1 Ho 0.27866 0.27866 0.34359 1.00000
  Ho2 Ho 0.72134 0.72134 0.65641 1.00000
  Ho3 Ho 0.37141 0.37141 0.99221 1.00000
  Ho4 Ho 0.62859 0.62859 0.00779 1.00000
  Ho5 Ho 0.37287 0.37287 0.63947 1.00000
  Ho6 Ho 0.62713 0.62713 0.36053 1.00000
  Ho7 Ho 0.54257 0.54257 0.72594 1.00000
  Ho8 Ho 0.45743 0.45743 0.27406 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.06204 0.06204 0.21857 1.00000
  Ge2 Ge 0.93796 0.93796 0.78143 1.00000
  Ge3 Ge 0.13296 0.13296 0.80967 1.00000
  Ge4 Ge 0.86704 0.86704 0.19033 1.00000
  Ge5 Ge 0.14593 0.14593 0.54628 1.00000
  Ge6 Ge 0.85407 0.85407 0.45372 1.00000
  Ge7 Ge 0.80585 0.80585 0.84715 1.00000
  Ge8 Ge 0.19415 0.19415 0.15285 1.00000
  Rh1 Rh 0.24066 0.24066 0.89468 1.00000
  Rh2 Rh 0.75934 0.75934 0.10532 1.00000
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