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Pu3Ga3Ge2Pt

Alexandria ALEX

Alex-ID: agm002276280 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
Pu3Ga3Ge2Pt
Alex-ID
agm002276280
Elements
4
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
183.80
ų
Cell a
4.2952
Å
Cell b
7.0294
Å
Cell c
7.0294
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pu3Ga3Ge2Pt
Ge
2.00 · 22.2%
Ga
3.00 · 33.3%
Pt
1.00 · 11.1%
Pu
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5709
eV/atom
Corrected total energy
-72.4897
eV
Raw total energy
-72.4896
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
37.7833
Total magnetisation
16.8527
μB

Additional Information

Prototype ID

AB2C3D3_0_spg189

Decomposition

Pu3Ga3Ge2Pt

Computed at

2018-12-14 03:43:25

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: agm002276280).

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 agm002276280
data_agm002276280
_cell_length_a     4.29520
_cell_length_b     7.02937
_cell_length_c     7.02937
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       183.80054
_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
  Ge1 Ge 0.50000 0.33333 0.66667 1.00000
  Ge2 Ge 0.50000 0.66667 0.33333 1.00000
  Ga1 Ga 0.50000 0.76499 0.76499 1.00000
  Ga2 Ga 0.50000 0.23501 1.00000 1.00000
  Ga3 Ga 0.50000 1.00000 0.23501 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  Pu1 Pu 0.00000 0.00000 0.57867 1.00000
  Pu2 Pu 0.00000 0.57867 0.00000 1.00000
  Pu3 Pu 0.00000 0.42133 0.42133 1.00000
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