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Dy3(CdPt)4

Alexandria ALEX

Alex-ID: agm003377331 · Space group: Immm (#71)

Basic Information

Formula
Dy3(CdPt)4
Alex-ID
agm003377331
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
240.70
ų
Cell a
3.6809
Å
Cell b
8.0618
Å
Cell c
9.2428
Å
α angle
115.86
°
β angle
101.49
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(CdPt)4
Dy
3.00 · 27.3%
Cd
4.00 · 36.4%
Pt
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0691
eV/atom
Formation energy
-0.7288
eV/atom
Corrected total energy
-49.8745
eV
Raw total energy
-49.8745
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8366
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_3_spg71

Decomposition

Cd4Pt Dy3Pt5 DyCdPt

Computed at

2022-02-09 01:33:19.094907

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: agm003377331).

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 agm003377331
data_agm003377331
_cell_length_a     3.68089
_cell_length_b     8.06184
_cell_length_c     9.24283
_cell_angle_alpha  115.85615
_cell_angle_beta   101.48559
_cell_angle_gamma  90.00000
_cell_volume       240.70340
_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 0.10700 0.10700 0.21399 1.00000
  Dy2 Dy 0.89300 0.89300 0.78601 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Cd1 Cd 0.33455 0.14797 0.66910 1.00000
  Cd2 Cd 0.66545 0.47887 0.33090 1.00000
  Cd3 Cd 0.66545 0.85203 0.33090 1.00000
  Cd4 Cd 0.33455 0.52113 0.66910 1.00000
  Pt1 Pt 0.25691 0.75691 0.51381 1.00000
  Pt2 Pt 0.74309 0.24309 0.48619 1.00000
  Pt3 Pt 0.50000 0.79512 0.00000 1.00000
  Pt4 Pt 0.50000 0.20488 1.00000 1.00000
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