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RbGePt2

Alexandria ALEX

Alex-ID: agm077704434 · Space group: Pmmn (#59)

Basic Information

Formula
RbGePt2
Alex-ID
agm077704434
Elements
3
Sites
8
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
209.53
ų
Cell a
4.2890
Å
Cell b
6.7796
Å
Cell c
7.2059
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbGePt2
Rb
2.00 · 25.0%
Ge
2.00 · 25.0%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0254
eV/atom
Formation energy
-0.3305
eV/atom
Corrected total energy
-38.1659
eV
Raw total energy
-38.1659
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7395
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_416_spg31

Decomposition

Rb(GePt)2 RbPt2

Computed at

2025-01-09 14:01:11

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: agm077704434).

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 agm077704434
data_agm077704434
_cell_length_a     4.28901
_cell_length_b     6.77958
_cell_length_c     7.20589
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       209.53073
_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
  Rb1 Rb 0.00000 0.88706 0.50000 1.00000
  Rb2 Rb 0.50000 0.11294 0.00000 1.00000
  Ge1 Ge 0.00000 0.59995 0.00000 1.00000
  Ge2 Ge 0.50000 0.40005 0.50000 1.00000
  Pt1 Pt 0.00000 0.39723 0.68744 1.00000
  Pt2 Pt 0.00000 0.39723 0.31256 1.00000
  Pt3 Pt 0.50000 0.60277 0.81256 1.00000
  Pt4 Pt 0.50000 0.60277 0.18744 1.00000
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