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Dy3Ge4Rh3

Alexandria ALEX

Alex-ID: agm008439773 · Space group: I-43d (#220)

Alexandria Database API

Basic Information

Formula
Dy3Ge4Rh3
Alex-ID
agm008439773
Elements
3
Sites
20
Space group
I-43d (#220)
Crystal system
cubic
Volume
406.89
ų
Cell a
8.0854
Å
Cell b
8.0854
Å
Cell c
8.0854
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Ge4Rh3
Dy
6.00 · 30.0%
Ge
8.00 · 40.0%
Rh
6.00 · 30.0%

Energy & Stability

Energy above hull
0.2046
eV/atom
Formation energy
-0.7230
eV/atom
Corrected total energy
-123.1296
eV
Raw total energy
-123.1296
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2125
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C4_277_spg24

Decomposition

DyGeRh DyGe2Rh

Computed at

2024-05-03 21:22:34.613046

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: agm008439773).

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 agm008439773
data_agm008439773
_cell_length_a     8.08539
_cell_length_b     8.08539
_cell_length_c     8.08539
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       406.89366
_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 0.87500 0.12500 0.75000 1.00000
  Dy2 Dy 0.62500 0.37500 0.25000 1.00000
  Dy3 Dy 0.25000 0.62500 0.37500 1.00000
  Dy4 Dy 0.75000 0.87500 0.12500 1.00000
  Dy5 Dy 0.12500 0.75000 0.87500 1.00000
  Dy6 Dy 0.37500 0.25000 0.62500 1.00000
  Ge1 Ge 0.35470 0.50000 0.00000 1.00000
  Ge2 Ge 0.50000 0.00000 0.35470 1.00000
  Ge3 Ge 0.14530 0.14530 0.14530 1.00000
  Ge4 Ge 0.85470 0.50000 0.00000 1.00000
  Ge5 Ge 0.00000 0.35470 0.50000 1.00000
  Ge6 Ge 0.50000 0.00000 0.85470 1.00000
  Ge7 Ge 0.00000 0.85470 0.50000 1.00000
  Ge8 Ge 0.64530 0.64530 0.64530 1.00000
  Rh1 Rh 0.37500 0.62500 0.75000 1.00000
  Rh2 Rh 0.12500 0.87500 0.25000 1.00000
  Rh3 Rh 0.25000 0.12500 0.87500 1.00000
  Rh4 Rh 0.75000 0.37500 0.62500 1.00000
  Rh5 Rh 0.62500 0.75000 0.37500 1.00000
  Rh6 Rh 0.87500 0.25000 0.12500 1.00000
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