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HoMn(GePt)2

Alexandria ALEX

Alex-ID: agm047083000 · Space group: P-3m1 (#164)

Alexandria Database API

Basic Information

Formula
HoMn(GePt)2
Alex-ID
agm047083000
Elements
4
Sites
6
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
106.33
ų
Cell a
4.3093
Å
Cell b
4.3093
Å
Cell c
6.6118
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMn(GePt)2
Ho
1.00 · 16.7%
Mn
1.00 · 16.7%
Ge
2.00 · 33.3%
Pt
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0033
eV/atom
Formation energy
-0.7307
eV/atom
Corrected total energy
-39.5428
eV
Raw total energy
-39.5428
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
2.7369
Total magnetisation
3.6657
μB

Additional Information

Prototype ID

ABC2D2_523_spg12

Decomposition

Ho5Ge7Pt9 Ge3Pt2 Mn3Ge GePt

Computed at

2024-11-07 22:41:31.264028

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: agm047083000).

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 agm047083000
data_agm047083000
_cell_length_a     4.30925
_cell_length_b     4.30925
_cell_length_c     6.61175
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       106.32888
_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 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.33333 0.66667 0.72146 1.00000
  Ge2 Ge 0.66667 0.33333 0.27854 1.00000
  Pt1 Pt 0.33333 0.66667 0.30660 1.00000
  Pt2 Pt 0.66667 0.33333 0.69340 1.00000
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