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Dy2GaPt3

Alexandria ALEX

Alex-ID: agm005693220 · Space group: R-3m (#166)

Basic Information

Formula
Dy2GaPt3
Alex-ID
agm005693220
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
112.75
ų
Cell a
5.3027
Å
Cell b
5.3027
Å
Cell c
5.3027
Å
α angle
63.13
°
β angle
63.13
°
γ angle
63.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2GaPt3
Dy
2.00 · 33.3%
Ga
1.00 · 16.7%
Pt
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0451
eV/atom
Formation energy
-1.0796
eV/atom
Corrected total energy
-36.9782
eV
Raw total energy
-36.9782
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7788
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

Dy4Ga6Pt7 Dy3Pt4 DyGaPt2

Computed at

2023-08-18 00:38:23.524996

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: agm005693220).

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 agm005693220
data_agm005693220
_cell_length_a     5.30272
_cell_length_b     5.30272
_cell_length_c     5.30272
_cell_angle_alpha  63.13082
_cell_angle_beta   63.13082
_cell_angle_gamma  63.13082
_cell_volume       112.75486
_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 0.37469 0.37469 0.37469 1.00000
  Dy2 Dy 0.62531 0.62531 0.62531 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.00000 0.00000 0.50000 1.00000
  Pt2 Pt 0.50000 0.00000 0.00000 1.00000
  Pt3 Pt 0.00000 0.50000 0.00000 1.00000
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