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Co3Ge6Rh

Alexandria ALEX

Alex-ID: agm003579239 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula
Co3Ge6Rh
Alex-ID
agm003579239
Elements
3
Sites
20
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
302.70
ų
Cell a
6.4483
Å
Cell b
5.9356
Å
Cell c
7.9191
Å
α angle
90.00
°
β angle
92.94
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co3Ge6Rh
Co
6.00 · 30.0%
Ge
12.00 · 60.0%
Rh
2.00 · 10.0%

Energy & Stability

Energy above hull
0.1238
eV/atom
Formation energy
-0.1265
eV/atom
Corrected total energy
-115.3832
eV
Raw total energy
-115.3832
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0249
eV
DOS at Fermi level
7.7475
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB3C6_272_spg14

Decomposition

Ge7Rh3 Ge3Rh2 Co5Ge7

Computed at

2022-03-28 21:53:42.668444

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: agm003579239).

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 agm003579239
data_agm003579239
_cell_length_a     6.44830
_cell_length_b     5.93562
_cell_length_c     7.91909
_cell_angle_alpha  90.00000
_cell_angle_beta   92.94023
_cell_angle_gamma  90.00000
_cell_volume       302.70130
_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
  Co1 Co 0.52163 0.82946 0.75691 1.00000
  Co2 Co 0.50000 0.50000 0.00000 1.00000
  Co3 Co 0.47837 0.17054 0.24309 1.00000
  Co4 Co 0.02163 0.67054 0.25691 1.00000
  Co5 Co 0.00000 0.00000 0.50000 1.00000
  Co6 Co 0.97837 0.32946 0.74309 1.00000
  Ge1 Ge 0.63977 0.15197 0.92775 1.00000
  Ge2 Ge 0.66427 0.12923 0.57268 1.00000
  Ge3 Ge 0.69515 0.50913 0.24666 1.00000
  Ge4 Ge 0.30485 0.49087 0.75334 1.00000
  Ge5 Ge 0.33573 0.87077 0.42732 1.00000
  Ge6 Ge 0.36023 0.84803 0.07225 1.00000
  Ge7 Ge 0.13977 0.34803 0.42775 1.00000
  Ge8 Ge 0.16427 0.37077 0.07268 1.00000
  Ge9 Ge 0.19515 0.99087 0.74666 1.00000
  Ge10 Ge 0.80485 0.00913 0.25334 1.00000
  Ge11 Ge 0.83573 0.62923 0.92732 1.00000
  Ge12 Ge 0.86023 0.65197 0.57225 1.00000
  Rh1 Rh 0.50000 0.50000 0.50000 1.00000
  Rh2 Rh 0.00000 0.00000 0.00000 1.00000
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