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Dy3(Al2Ge)2

Alexandria ALEX

Alex-ID: agm005597697 · Space group: C2/m (#12)

Basic Information

Formula
Dy3(Al2Ge)2
Alex-ID
agm005597697
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
190.61
ų
Cell a
4.2706
Å
Cell b
5.8669
Å
Cell c
8.4405
Å
α angle
103.58
°
β angle
90.00
°
γ angle
111.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(Al2Ge)2
Dy
3.00 · 33.3%
Al
4.00 · 44.4%
Ge
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0689
eV/atom
Formation energy
-0.5410
eV/atom
Corrected total energy
-42.8968
eV
Raw total energy
-42.8968
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8526
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_277_spg12

Decomposition

DyAl2 DyAlGe

Computed at

2023-06-26 17:10:39.207661

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: agm005597697).

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 agm005597697
data_agm005597697
_cell_length_a     4.27062
_cell_length_b     5.86687
_cell_length_c     8.44048
_cell_angle_alpha  103.58162
_cell_angle_beta   90.00000
_cell_angle_gamma  111.34363
_cell_volume       190.61045
_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 0.66872 0.33744 0.66306 1.00000
  Dy2 Dy 0.00000 0.00000 0.00000 1.00000
  Dy3 Dy 0.33128 0.66256 0.33694 1.00000
  Al1 Al 0.73091 0.46181 0.06399 1.00000
  Al2 Al 0.26909 0.53819 0.93601 1.00000
  Al3 Al 0.95336 0.90671 0.61910 1.00000
  Al4 Al 0.04664 0.09329 0.38090 1.00000
  Ge1 Ge 0.61216 0.22433 0.27853 1.00000
  Ge2 Ge 0.38784 0.77567 0.72147 1.00000
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