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Dy5Al3Ge4Rh3

Alexandria ALEX

Alex-ID: agm016676296 · Space group: Pmmn (#59)

Basic Information

Formula
Dy5Al3Ge4Rh3
Alex-ID
agm016676296
Elements
4
Sites
30
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
584.51
ų
Cell a
4.2729
Å
Cell b
6.9313
Å
Cell c
19.7358
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Al3Ge4Rh3
Dy
10.00 · 33.3%
Al
6.00 · 20.0%
Ge
8.00 · 26.7%
Rh
6.00 · 20.0%

Energy & Stability

Energy above hull
0.0292
eV/atom
Formation energy
-0.9241
eV/atom
Corrected total energy
-177.2820
eV
Raw total energy
-177.2820
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.7480
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C4D5_1_spg59

Decomposition

Dy4Ge3 AlRh DyGe

Computed at

2024-12-02 19:47:07

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: agm016676296).

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 agm016676296
data_agm016676296
_cell_length_a     4.27292
_cell_length_b     6.93133
_cell_length_c     19.73576
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       584.51443
_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 0.50000 0.00479 0.62789 1.00000
  Dy2 Dy 0.00000 0.48743 0.82315 1.00000
  Dy3 Dy 0.50000 0.51257 0.67685 1.00000
  Dy4 Dy 0.00000 0.36704 0.00000 1.00000
  Dy5 Dy 0.50000 0.63296 0.50000 1.00000
  Dy6 Dy 0.50000 0.51257 0.32315 1.00000
  Dy7 Dy 0.00000 0.99521 0.87211 1.00000
  Dy8 Dy 0.50000 0.00479 0.37211 1.00000
  Dy9 Dy 0.00000 0.48743 0.17685 1.00000
  Dy10 Dy 0.00000 0.99521 0.12789 1.00000
  Al1 Al 0.00000 0.33126 0.56967 1.00000
  Al2 Al 0.00000 0.33126 0.43033 1.00000
  Al3 Al 0.50000 0.01605 0.00000 1.00000
  Al4 Al 0.00000 0.98395 0.50000 1.00000
  Al5 Al 0.50000 0.66874 0.93033 1.00000
  Al6 Al 0.50000 0.66874 0.06967 1.00000
  Ge1 Ge 0.00000 0.71864 0.60257 1.00000
  Ge2 Ge 0.00000 0.21126 0.29180 1.00000
  Ge3 Ge 0.50000 0.78874 0.20820 1.00000
  Ge4 Ge 0.50000 0.28136 0.10257 1.00000
  Ge5 Ge 0.50000 0.28136 0.89743 1.00000
  Ge6 Ge 0.50000 0.78874 0.79180 1.00000
  Ge7 Ge 0.00000 0.21126 0.70820 1.00000
  Ge8 Ge 0.00000 0.71864 0.39743 1.00000
  Rh1 Rh 0.50000 0.15558 0.77297 1.00000
  Rh2 Rh 0.00000 0.84442 0.72703 1.00000
  Rh3 Rh 0.00000 0.78242 0.00000 1.00000
  Rh4 Rh 0.50000 0.15558 0.22703 1.00000
  Rh5 Rh 0.50000 0.21758 0.50000 1.00000
  Rh6 Rh 0.00000 0.84442 0.27297 1.00000
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