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Ho2In3Ge2

Alexandria ALEX

Alex-ID: agm009580168 · Space group: C2/m (#12)

Basic Information

Formula
Ho2In3Ge2
Alex-ID
agm009580168
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
163.07
ų
Cell a
5.7881
Å
Cell b
5.7881
Å
Cell c
7.1488
Å
α angle
81.83
°
β angle
81.83
°
γ angle
43.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2In3Ge2
Ho
2.00 · 28.6%
In
3.00 · 42.9%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0756
eV/atom
Formation energy
-0.4237
eV/atom
Corrected total energy
-29.6669
eV
Raw total energy
-29.6669
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.4124
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_195_spg12

Decomposition

HoIn3 Ho3Ge4 In

Computed at

2024-03-25 21:52:03.618460

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: agm009580168).

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 agm009580168
data_agm009580168
_cell_length_a     5.78806
_cell_length_b     5.78806
_cell_length_c     7.14884
_cell_angle_alpha  81.82751
_cell_angle_beta   81.82751
_cell_angle_gamma  43.55032
_cell_volume       163.06735
_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 0.61736 0.61736 0.67424 1.00000
  Ho2 Ho 0.38264 0.38264 0.32576 1.00000
  In1 In 0.30167 0.30167 0.85575 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  In3 In 0.69833 0.69833 0.14425 1.00000
  Ge1 Ge 0.09989 0.09989 0.38453 1.00000
  Ge2 Ge 0.90011 0.90011 0.61547 1.00000
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