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Ge2PtRh

Alexandria ALEX

Alex-ID: agm005804091 · Space group: Imm2 (#44)

Basic Information

Formula
Ge2PtRh
Alex-ID
agm005804091
Elements
3
Sites
4
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
64.37
ų
Cell a
3.5198
Å
Cell b
3.6124
Å
Cell c
5.6557
Å
α angle
71.38
°
β angle
71.88
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ge2PtRh
Ge
2.00 · 50.0%
Pt
1.00 · 25.0%
Rh
1.00 · 25.0%

Energy & Stability

Energy above hull
0.1940
eV/atom
Formation energy
-0.2950
eV/atom
Corrected total energy
-23.8541
eV
Raw total energy
-23.8541
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.4795
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_2_spg119

Decomposition

GePt GeRh

Computed at

2023-07-14 16:04:58.709301

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: agm005804091).

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 agm005804091
data_agm005804091
_cell_length_a     3.51984
_cell_length_b     3.61244
_cell_length_c     5.65574
_cell_angle_alpha  71.37575
_cell_angle_beta   71.88361
_cell_angle_gamma  89.99999
_cell_volume       64.37491
_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
  Ge1 Ge 0.96694 0.96684 0.06631 1.00000
  Ge2 Ge 0.71322 0.21338 0.57324 1.00000
  Pt1 Pt 0.27863 0.77875 0.44250 1.00000
  Rh1 Rh 0.54120 0.54103 0.91795 1.00000
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