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Dy2Ge5OsRh2

Alexandria ALEX

Alex-ID: agm040996733 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Dy2Ge5OsRh2
Alex-ID
agm040996733
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
360.19
ų
Cell a
5.9363
Å
Cell b
8.5027
Å
Cell c
8.5044
Å
α angle
92.13
°
β angle
112.14
°
γ angle
112.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ge5OsRh2
Dy
4.00 · 20.0%
Ge
10.00 · 50.0%
Os
2.00 · 10.0%
Rh
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0016
eV/atom
Formation energy
-0.6834
eV/atom
Corrected total energy
-130.1221
eV
Raw total energy
-130.1221
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0581
eV
DOS at Fermi level
7.0251
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_89_spg140

Decomposition

DyGe2Rh Ge2Os Os

Computed at

2025-03-15 06:56:46

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: agm040996733).

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 agm040996733
data_agm040996733
_cell_length_a     5.93631
_cell_length_b     8.50273
_cell_length_c     8.50443
_cell_angle_alpha  92.12686
_cell_angle_beta   112.13601
_cell_angle_gamma  112.13881
_cell_volume       360.19023
_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
  Dy1 Dy 0.77450 0.12733 0.40330 1.00000
  Dy2 Dy 0.72554 0.59652 0.87262 1.00000
  Dy3 Dy 0.22550 0.87267 0.59670 1.00000
  Dy4 Dy 0.27446 0.40348 0.12738 1.00000
  Ge1 Ge 0.82745 0.92206 0.73724 1.00000
  Ge2 Ge 0.67246 0.26295 0.07804 1.00000
  Ge3 Ge 0.17255 0.07794 0.26276 1.00000
  Ge4 Ge 0.32754 0.73705 0.92196 1.00000
  Ge5 Ge 0.25006 0.48822 0.51181 1.00000
  Ge6 Ge 0.74994 0.51178 0.48819 1.00000
  Ge7 Ge 0.25007 0.79254 0.20705 1.00000
  Ge8 Ge 0.74993 0.20746 0.79295 1.00000
  Ge9 Ge 0.24992 0.22018 0.77972 1.00000
  Ge10 Ge 0.75008 0.77982 0.22028 1.00000
  Os1 Os 0.25004 0.99716 0.00281 1.00000
  Os2 Os 0.74996 0.00284 0.99719 1.00000
  Rh1 Rh 0.56805 0.73828 0.45177 1.00000
  Rh2 Rh 0.93208 0.54844 0.26189 1.00000
  Rh3 Rh 0.43195 0.26172 0.54823 1.00000
  Rh4 Rh 0.06792 0.45156 0.73811 1.00000
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