Navigation

HEAS Data Platform · Materials Science Database

Dy2Al13Pt6

Alexandria ALEX

Alex-ID: agm007933705 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Al13Pt6
Alex-ID
agm007933705
Elements
3
Sites
21
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
352.02
ų
Cell a
8.0513
Å
Cell b
8.0513
Å
Cell c
12.3982
Å
α angle
61.80
°
β angle
61.80
°
γ angle
30.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Al13Pt6
Dy
2.00 · 9.5%
Al
13.00 · 61.9%
Pt
6.00 · 28.6%

Energy & Stability

Energy above hull
0.0285
eV/atom
Formation energy
-0.9180
eV/atom
Corrected total energy
-113.7052
eV
Raw total energy
-113.7052
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6322
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B6C13_3_spg12

Decomposition

Al3Pt2 DyAl5Pt3 Dy4(Al8Pt3)3

Computed at

2024-07-14 22:07:03.384594

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: agm007933705).

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 agm007933705
data_agm007933705
_cell_length_a     8.05128
_cell_length_b     8.05128
_cell_length_c     12.39816
_cell_angle_alpha  61.79972
_cell_angle_beta   61.79972
_cell_angle_gamma  30.14975
_cell_volume       352.01732
_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 0.17511 0.17511 0.73043 1.00000
  Dy2 Dy 0.82489 0.82489 0.26957 1.00000
  Al1 Al 0.19755 0.19755 0.46143 1.00000
  Al2 Al 0.00004 0.00004 0.67174 1.00000
  Al3 Al 0.29505 0.29505 0.88205 1.00000
  Al4 Al 0.49136 0.49136 0.17068 1.00000
  Al5 Al 0.64743 0.64743 0.92769 1.00000
  Al6 Al 0.80245 0.80245 0.53857 1.00000
  Al7 Al 0.59059 0.59059 0.39412 1.00000
  Al8 Al 0.99996 0.99996 0.32826 1.00000
  Al9 Al 0.00000 0.00000 0.00000 1.00000
  Al10 Al 0.35257 0.35257 0.07231 1.00000
  Al11 Al 0.70495 0.70495 0.11795 1.00000
  Al12 Al 0.40941 0.40941 0.60588 1.00000
  Al13 Al 0.50864 0.50864 0.82932 1.00000
  Pt1 Pt 0.18109 0.18109 0.26252 1.00000
  Pt2 Pt 0.81891 0.81891 0.73748 1.00000
  Pt3 Pt 0.88501 0.88501 0.92413 1.00000
  Pt4 Pt 0.60947 0.60947 0.59051 1.00000
  Pt5 Pt 0.39053 0.39053 0.40949 1.00000
  Pt6 Pt 0.11499 0.11499 0.07587 1.00000
Get direct link