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Dy4AlPt2

Alexandria ALEX

Alex-ID: agm014129658 · Space group: C2/m (#12)

Basic Information

Formula
Dy4AlPt2
Alex-ID
agm014129658
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
175.71
ų
Cell a
7.1380
Å
Cell b
7.1380
Å
Cell c
7.4133
Å
α angle
65.89
°
β angle
114.11
°
γ angle
149.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4AlPt2
Dy
4.00 · 57.1%
Al
1.00 · 14.3%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0491
eV/atom
Formation energy
-0.8585
eV/atom
Corrected total energy
-40.3458
eV
Raw total energy
-40.3458
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.0953
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_619_spg1

Decomposition

Dy4AlPt DyAlPt Dy2Pt

Computed at

2025-04-29 23:42:42

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: agm014129658).

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 agm014129658
data_agm014129658
_cell_length_a     7.13797
_cell_length_b     7.13797
_cell_length_c     7.41332
_cell_angle_alpha  65.89281
_cell_angle_beta   114.10719
_cell_angle_gamma  149.09758
_cell_volume       175.70647
_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 0.58804 0.41196 0.75506 1.00000
  Dy2 Dy 0.41196 0.58804 0.24494 1.00000
  Dy3 Dy 0.31632 0.68368 0.72304 1.00000
  Dy4 Dy 0.68368 0.31632 0.27696 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.08937 0.91063 0.43652 1.00000
  Pt2 Pt 0.91063 0.08937 0.56348 1.00000
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