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Dy2Al4Ge2Pt3

Alexandria ALEX

Alex-ID: agm025288753 · Space group: Cmmm (#65)

Basic Information

Formula
Dy2Al4Ge2Pt3
Alex-ID
agm025288753
Elements
4
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
209.71
ų
Cell a
12.3294
Å
Cell b
12.3294
Å
Cell c
4.0802
Å
α angle
90.00
°
β angle
90.00
°
γ angle
160.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Al4Ge2Pt3
Dy
2.00 · 18.2%
Al
4.00 · 36.4%
Ge
2.00 · 18.2%
Pt
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0094
eV/atom
Formation energy
-0.9590
eV/atom
Corrected total energy
-62.2378
eV
Raw total energy
-62.2378
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0719
eV
DOS at Fermi level
5.1957
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3D4_10_spg65

Decomposition

Dy3Ge4 DyGePt DyAl5Pt3 Al3Pt2

Computed at

2024-10-02 15:46:51.999821

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: agm025288753).

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 agm025288753
data_agm025288753
_cell_length_a     12.32935
_cell_length_b     12.32935
_cell_length_c     4.08016
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  160.23782
_cell_volume       209.71264
_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 0.82585 0.17415 0.00000 1.00000
  Dy2 Dy 0.17415 0.82585 0.00000 1.00000
  Al1 Al 0.56039 0.43961 0.00000 1.00000
  Al2 Al 0.43961 0.56039 0.00000 1.00000
  Al3 Al 0.93670 0.06330 0.50000 1.00000
  Al4 Al 0.06330 0.93670 0.50000 1.00000
  Ge1 Ge 0.72335 0.27665 0.50000 1.00000
  Ge2 Ge 0.27665 0.72335 0.50000 1.00000
  Pt1 Pt 0.62206 0.37794 0.50000 1.00000
  Pt2 Pt 0.37794 0.62206 0.50000 1.00000
  Pt3 Pt 0.00000 0.00000 0.00000 1.00000
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