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Ge2SbRh2

Alexandria ALEX

Alex-ID: agm002980331 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Ge2SbRh2
Alex-ID
agm002980331
Elements
3
Sites
10
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
169.31
ų
Cell a
7.5515
Å
Cell b
7.5515
Å
Cell c
2.9690
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ge2SbRh2
Sb
2.00 · 20.0%
Ge
4.00 · 40.0%
Rh
4.00 · 40.0%

Energy & Stability

Energy above hull
0.2091
eV/atom
Formation energy
-0.2457
eV/atom
Corrected total energy
-58.5769
eV
Raw total energy
-58.5769
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0119
eV
DOS at Fermi level
6.8453
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_10_spg127

Decomposition

Sb2Rh Ge3Rh2 GeRh

Computed at

2017-07-25 15:50:26

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: agm002980331).

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 agm002980331
data_agm002980331
_cell_length_a     7.55154
_cell_length_b     7.55154
_cell_length_c     2.96897
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       169.30792
_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
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  Sb2 Sb 0.50000 0.50000 0.00000 1.00000
  Ge1 Ge 0.14434 0.64434 0.50000 1.00000
  Ge2 Ge 0.64434 0.85566 0.50000 1.00000
  Ge3 Ge 0.85566 0.35566 0.50000 1.00000
  Ge4 Ge 0.35566 0.14434 0.50000 1.00000
  Rh1 Rh 0.35379 0.85379 0.00000 1.00000
  Rh2 Rh 0.85379 0.64621 0.00000 1.00000
  Rh3 Rh 0.64621 0.14621 0.00000 1.00000
  Rh4 Rh 0.14621 0.35379 0.00000 1.00000
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