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Dy5Al3Si4Pt3

Alexandria ALEX

Alex-ID: agm016767477 · Space group: Pmmn (#59)

Alexandria Database API

Basic Information

Formula
Dy5Al3Si4Pt3
Alex-ID
agm016767477
Elements
4
Sites
30
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
575.23
ų
Cell a
4.2611
Å
Cell b
6.9581
Å
Cell c
19.4011
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Al3Si4Pt3
Dy
10.00 · 33.3%
Al
6.00 · 20.0%
Si
8.00 · 26.7%
Pt
6.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0131
eV/atom
Corrected total energy
-178.8174
eV
Raw total energy
-178.8174
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0324
eV
DOS at Fermi level
8.3873
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C4D5_1_spg59

Decomposition

Dy5Al3Si4Pt3

Computed at

2025-01-14 06:13:27

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: agm016767477).

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 agm016767477
data_agm016767477
_cell_length_a     4.26109
_cell_length_b     6.95814
_cell_length_c     19.40108
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       575.22730
_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 0.50000 0.49034 0.13056 1.00000
  Dy2 Dy 0.00000 0.99454 0.32215 1.00000
  Dy3 Dy 0.50000 0.00546 0.17785 1.00000
  Dy4 Dy 0.00000 0.87988 0.50000 1.00000
  Dy5 Dy 0.50000 0.12012 0.00000 1.00000
  Dy6 Dy 0.50000 0.00546 0.82215 1.00000
  Dy7 Dy 0.00000 0.50966 0.36944 1.00000
  Dy8 Dy 0.50000 0.49034 0.86944 1.00000
  Dy9 Dy 0.00000 0.99454 0.67785 1.00000
  Dy10 Dy 0.00000 0.50966 0.63056 1.00000
  Al1 Al 0.00000 0.81883 0.07470 1.00000
  Al2 Al 0.00000 0.81883 0.92530 1.00000
  Al3 Al 0.50000 0.53300 0.50000 1.00000
  Al4 Al 0.00000 0.46700 0.00000 1.00000
  Al5 Al 0.50000 0.18117 0.42530 1.00000
  Al6 Al 0.50000 0.18117 0.57470 1.00000
  Si1 Si 0.00000 0.20683 0.10035 1.00000
  Si2 Si 0.00000 0.69892 0.79153 1.00000
  Si3 Si 0.50000 0.30108 0.70847 1.00000
  Si4 Si 0.50000 0.79317 0.60035 1.00000
  Si5 Si 0.50000 0.79317 0.39965 1.00000
  Si6 Si 0.50000 0.30108 0.29153 1.00000
  Si7 Si 0.00000 0.69892 0.20847 1.00000
  Si8 Si 0.00000 0.20683 0.89965 1.00000
  Pt1 Pt 0.50000 0.68650 0.27743 1.00000
  Pt2 Pt 0.00000 0.31350 0.22257 1.00000
  Pt3 Pt 0.00000 0.29453 0.50000 1.00000
  Pt4 Pt 0.50000 0.68650 0.72257 1.00000
  Pt5 Pt 0.50000 0.70547 0.00000 1.00000
  Pt6 Pt 0.00000 0.31350 0.77743 1.00000
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