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Dy2AlGe2

Alexandria ALEX

Alex-ID: agm034214190 · Space group: C2/c (#15)

Basic Information

Formula
Dy2AlGe2
Alex-ID
agm034214190
Elements
3
Sites
10
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
212.78
ų
Cell a
5.7440
Å
Cell b
5.7440
Å
Cell c
7.7595
Å
α angle
77.42
°
β angle
102.58
°
γ angle
120.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2AlGe2
Dy
4.00 · 40.0%
Al
2.00 · 20.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0030
eV/atom
Formation energy
-0.7378
eV/atom
Corrected total energy
-51.7533
eV
Raw total energy
-51.7533
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0370
eV
DOS at Fermi level
5.6939
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_14_spg70

Decomposition

DyAlGe DyGe

Computed at

2025-01-30 15:50:33

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: agm034214190).

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 agm034214190
data_agm034214190
_cell_length_a     5.74402
_cell_length_b     5.74402
_cell_length_c     7.75945
_cell_angle_alpha  77.41960
_cell_angle_beta   102.58040
_cell_angle_gamma  120.85358
_cell_volume       212.77869
_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 0.22306 0.51525 0.85194 1.00000
  Dy2 Dy 0.51525 0.22306 0.64806 1.00000
  Dy3 Dy 0.77694 0.48475 0.14806 1.00000
  Dy4 Dy 0.48475 0.77694 0.35194 1.00000
  Al1 Al 0.82263 0.82263 0.75000 1.00000
  Al2 Al 0.17737 0.17737 0.25000 1.00000
  Ge1 Ge 0.00820 0.73315 0.49707 1.00000
  Ge2 Ge 0.73315 0.00820 0.00293 1.00000
  Ge3 Ge 0.99180 0.26685 0.50293 1.00000
  Ge4 Ge 0.26685 0.99180 0.99707 1.00000
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