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K2Rb4Ge

Alexandria ALEX

Alex-ID: agm096140271 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
K2Rb4Ge
Alex-ID
agm096140271
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
506.49
ų
Cell a
6.6989
Å
Cell b
6.3506
Å
Cell c
11.9419
Å
α angle
90.00
°
β angle
94.48
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K2Rb4Ge
K
2.00 · 28.6%
Rb
4.00 · 57.1%
Ge
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1574
eV/atom
Formation energy
0.0947
eV/atom
Corrected total energy
-10.0290
eV
Raw total energy
-10.0290
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
5.9728
Total magnetisation
0.1828
μB

Additional Information

Prototype ID

AB2C4_6191_spg25

Decomposition

K Rb KGe

Computed at

2025-04-10 20:19:30

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: agm096140271).

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 agm096140271
data_agm096140271
_cell_length_a     6.69890
_cell_length_b     6.35062
_cell_length_c     11.94195
_cell_angle_alpha  90.00000
_cell_angle_beta   94.47616
_cell_angle_gamma  90.00000
_cell_volume       506.48723
_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
  K1 K 0.50000 0.00000 0.00000 1.00000
  K2 K 0.50000 0.50000 0.50000 1.00000
  Rb1 Rb 0.80859 0.50000 0.86819 1.00000
  Rb2 Rb 0.89970 0.00000 0.29815 1.00000
  Rb3 Rb 0.10030 0.00000 0.70185 1.00000
  Rb4 Rb 0.19141 0.50000 0.13181 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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