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Dy2Ge4Rh3

Alexandria ALEX

Alex-ID: agm003333982 · Space group: Fmmm (#69)

Basic Information

Formula
Dy2Ge4Rh3
Alex-ID
agm003333982
Elements
3
Sites
9
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
164.31
ų
Cell a
5.5527
Å
Cell b
5.5527
Å
Cell c
6.7556
Å
α angle
101.81
°
β angle
101.81
°
γ angle
120.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ge4Rh3
Dy
2.00 · 22.2%
Ge
4.00 · 44.4%
Rh
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1430
eV/atom
Formation energy
-0.7237
eV/atom
Corrected total energy
-56.2442
eV
Raw total energy
-56.2442
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.3541
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_280_spg69

Decomposition

Dy(GeRh)2 DyGe2Rh

Computed at

2022-01-27 05:00:53.126541

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: agm003333982).

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 agm003333982
data_agm003333982
_cell_length_a     5.55270
_cell_length_b     5.55270
_cell_length_c     6.75560
_cell_angle_alpha  101.81325
_cell_angle_beta   101.81325
_cell_angle_gamma  120.12288
_cell_volume       164.30679
_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 0.63257 0.63257 0.26515 1.00000
  Dy2 Dy 0.36743 0.36743 0.73485 1.00000
  Ge1 Ge 0.00867 0.67235 0.68102 1.00000
  Ge2 Ge 0.67235 0.00867 0.68102 1.00000
  Ge3 Ge 0.99133 0.32765 0.31898 1.00000
  Ge4 Ge 0.32765 0.99133 0.31898 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
  Rh2 Rh 0.00000 0.00000 0.00000 1.00000
  Rh3 Rh 0.00000 0.50000 0.00000 1.00000
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