Navigation

HEAS Data Platform · Materials Science Database

Y2Co2Ge5Rh

Alexandria ALEX

Alex-ID: agm044665443 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Y2Co2Ge5Rh
Alex-ID
agm044665443
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
337.39
ų
Cell a
8.1650
Å
Cell b
8.1650
Å
Cell c
5.8218
Å
α angle
70.17
°
β angle
70.17
°
γ angle
92.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y2Co2Ge5Rh
Y
4.00 · 20.0%
Co
4.00 · 20.0%
Ge
10.00 · 50.0%
Rh
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6642
eV/atom
Corrected total energy
-128.5081
eV
Raw total energy
-128.5081
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0111
eV
DOS at Fermi level
11.7815
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Y2Co2Ge5Rh

Computed at

2024-08-24 23:43:22.700464

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: agm044665443).

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 agm044665443
data_agm044665443
_cell_length_a     8.16499
_cell_length_b     8.16499
_cell_length_c     5.82180
_cell_angle_alpha  70.17190
_cell_angle_beta   70.17190
_cell_angle_gamma  92.90291
_cell_volume       337.39230
_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
  Y1 Y 0.12897 0.40430 0.23328 1.00000
  Y2 Y 0.59571 0.87103 0.26672 1.00000
  Y3 Y 0.87103 0.59571 0.76672 1.00000
  Y4 Y 0.40430 0.12897 0.73328 1.00000
  Co1 Co 0.73537 0.45761 0.38337 1.00000
  Co2 Co 0.54239 0.26463 0.11663 1.00000
  Co3 Co 0.26463 0.54239 0.61663 1.00000
  Co4 Co 0.45761 0.73537 0.88337 1.00000
  Ge1 Ge 0.92330 0.72518 0.17775 1.00000
  Ge2 Ge 0.27482 0.07670 0.32225 1.00000
  Ge3 Ge 0.07670 0.27482 0.82225 1.00000
  Ge4 Ge 0.72518 0.92330 0.67775 1.00000
  Ge5 Ge 0.49084 0.50916 0.25000 1.00000
  Ge6 Ge 0.50916 0.49084 0.75000 1.00000
  Ge7 Ge 0.78035 0.21965 0.25000 1.00000
  Ge8 Ge 0.21965 0.78035 0.75000 1.00000
  Ge9 Ge 0.23185 0.76815 0.25000 1.00000
  Ge10 Ge 0.76815 0.23185 0.75000 1.00000
  Rh1 Rh 0.99846 0.00154 0.25000 1.00000
  Rh2 Rh 0.00154 0.99846 0.75000 1.00000
Get direct link