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Ho3(GePt)4

Alexandria ALEX

Alex-ID: agm003381815 · Space group: Immm (#71)

Basic Information

Formula
Ho3(GePt)4
Alex-ID
agm003381815
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
213.31
ų
Cell a
4.3030
Å
Cell b
3.8697
Å
Cell c
13.1329
Å
α angle
98.47
°
β angle
99.43
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(GePt)4
Ho
3.00 · 27.3%
Ge
4.00 · 36.4%
Pt
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0615
eV/atom
Formation energy
-0.9503
eV/atom
Corrected total energy
-67.0105
eV
Raw total energy
-67.0105
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.0519
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_0_spg71

Decomposition

Ho5Ge7Pt9 Ge3Pt2 HoGePt

Computed at

2022-02-09 02:58:23.153017

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: agm003381815).

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 agm003381815
data_agm003381815
_cell_length_a     4.30300
_cell_length_b     3.86972
_cell_length_c     13.13290
_cell_angle_alpha  98.47218
_cell_angle_beta   99.42900
_cell_angle_gamma  90.00000
_cell_volume       213.30727
_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 0.35558 0.85558 0.71116 1.00000
  Ho2 Ho 0.64442 0.14442 0.28884 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.81004 0.31004 0.62007 1.00000
  Ge2 Ge 0.45203 0.45203 0.90405 1.00000
  Ge3 Ge 0.54797 0.54797 0.09595 1.00000
  Ge4 Ge 0.18996 0.68996 0.37993 1.00000
  Pt1 Pt 0.25466 0.25466 0.50933 1.00000
  Pt2 Pt 0.09456 0.59456 0.18912 1.00000
  Pt3 Pt 0.90544 0.40544 0.81088 1.00000
  Pt4 Pt 0.74534 0.74534 0.49067 1.00000
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