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Ho3(GePt)2

Alexandria ALEX

Alex-ID: agm009053071 · Space group: Immm (#71)

Basic Information

Formula
Ho3(GePt)2
Alex-ID
agm009053071
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
154.46
ų
Cell a
9.6894
Å
Cell b
9.6894
Å
Cell c
9.6894
Å
α angle
156.11
°
β angle
155.19
°
γ angle
34.72
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(GePt)2
Ho
3.00 · 42.9%
Ge
2.00 · 28.6%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1050
eV/atom
Formation energy
-1.0007
eV/atom
Corrected total energy
-42.1510
eV
Raw total energy
-42.1510
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6759
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_33_spg71

Decomposition

Ho2GePt HoGePt

Computed at

2024-03-04 22:53:57.380160

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: agm009053071).

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 agm009053071
data_agm009053071
_cell_length_a     9.68942
_cell_length_b     9.68942
_cell_length_c     9.68942
_cell_angle_alpha  156.10604
_cell_angle_beta   155.18721
_cell_angle_gamma  34.71646
_cell_volume       154.46059
_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 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.81780 0.31780 0.50000 1.00000
  Ho3 Ho 0.18220 0.68220 0.50000 1.00000
  Ge1 Ge 0.34715 0.84715 0.50000 1.00000
  Ge2 Ge 0.65285 0.15285 0.50000 1.00000
  Pt1 Pt 0.92966 0.92966 0.00000 1.00000
  Pt2 Pt 0.07034 0.07034 0.00000 1.00000
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