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Dy2Ga5Pt4

Alexandria ALEX

Alex-ID: agm005665808 · Space group: Fmmm (#69)

Basic Information

Formula
Dy2Ga5Pt4
Alex-ID
agm005665808
Elements
3
Sites
11
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
204.51
ų
Cell a
5.4010
Å
Cell b
5.3198
Å
Cell c
8.6917
Å
α angle
80.93
°
β angle
71.90
°
γ angle
59.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ga5Pt4
Dy
2.00 · 18.2%
Ga
5.00 · 45.5%
Pt
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0856
eV/atom
Formation energy
-0.8241
eV/atom
Corrected total energy
-57.7712
eV
Raw total energy
-57.7712
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7434
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_154_spg69

Decomposition

Dy(Ga2Pt)2 Dy4Ga20Pt11 Dy4Ga6Pt7

Computed at

2023-06-21 14:06:10.156662

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: agm005665808).

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 agm005665808
data_agm005665808
_cell_length_a     5.40101
_cell_length_b     5.31979
_cell_length_c     8.69174
_cell_angle_alpha  80.92537
_cell_angle_beta   71.89870
_cell_angle_gamma  59.49364
_cell_volume       204.51469
_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 0.87563 0.00000 0.24874 1.00000
  Dy2 Dy 0.12437 1.00000 0.75126 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
  Ga2 Ga 0.00000 0.50000 0.00000 1.00000
  Ga3 Ga 0.50000 0.50000 0.00000 1.00000
  Ga4 Ga 0.25000 0.50000 0.50000 1.00000
  Ga5 Ga 0.75000 0.50000 0.50000 1.00000
  Pt1 Pt 0.47195 0.31812 0.73799 1.00000
  Pt2 Pt 0.52805 0.68188 0.26201 1.00000
  Pt3 Pt 0.20993 0.31812 0.26201 1.00000
  Pt4 Pt 0.79007 0.68188 0.73799 1.00000
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