Navigation

HEAS Data Platform · Materials Science Database

RbGe2W

Alexandria ALEX

Alex-ID: agm002833014 · Space group: I4_1/amd (#141)

Alexandria Database API

Basic Information

Formula
RbGe2W
Alex-ID
agm002833014
Elements
3
Sites
8
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
299.35
ų
Cell a
6.4827
Å
Cell b
6.4827
Å
Cell c
8.4707
Å
α angle
67.50
°
β angle
67.50
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbGe2W
Ge
4.00 · 50.0%
Rb
2.00 · 25.0%
W
2.00 · 25.0%

Energy & Stability

Energy above hull
0.5906
eV/atom
Formation energy
0.4787
eV/atom
Corrected total energy
-42.4814
eV
Raw total energy
-42.4814
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0058
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC2_433_spg141

Decomposition

Rb4Ge23 RbGe W

Computed at

2016-03-17 18:19:23

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: agm002833014).

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 agm002833014
data_agm002833014
_cell_length_a     6.48270
_cell_length_b     6.48270
_cell_length_c     8.47069
_cell_angle_alpha  67.50179
_cell_angle_beta   67.50179
_cell_angle_gamma  90.00000
_cell_volume       299.35471
_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 0.87493 0.12500 0.25000 1.00000
  Ge2 Ge 0.87507 0.62500 0.25000 1.00000
  Ge3 Ge 0.37500 0.12507 0.75000 1.00000
  Ge4 Ge 0.87500 0.12493 0.75000 1.00000
  Rb1 Rb 0.50000 0.50000 0.00000 1.00000
  Rb2 Rb 0.25000 0.75000 0.50000 1.00000
  W1 W 0.00000 0.00000 0.00000 1.00000
  W2 W 0.75000 0.25000 0.50000 1.00000
Get direct link