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AcGa2BiPt5

Alexandria ALEX

Alex-ID: agm005169435 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
AcGa2BiPt5
Alex-ID
agm005169435
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
177.99
ų
Cell a
4.3304
Å
Cell b
4.3304
Å
Cell c
9.4914
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcGa2BiPt5
Ac
1.00 · 11.1%
Ga
2.00 · 22.2%
Bi
1.00 · 11.1%
Pt
5.00 · 55.6%

Energy & Stability

Energy above hull
0.2241
eV/atom
Formation energy
-0.4899
eV/atom
Corrected total energy
-48.8969
eV
Raw total energy
-48.8969
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0246
eV
DOS at Fermi level
3.4251
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_202_spg123

Decomposition

Ac3Ga3Pt8 Ac(Ga2Pt3)2 AcPt5 Bi2Pt

Computed at

2023-01-21 00:46:35.025853

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: agm005169435).

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 agm005169435
data_agm005169435
_cell_length_a     4.33045
_cell_length_b     4.33045
_cell_length_c     9.49139
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       177.98980
_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
  Ac1 Ac 0.00000 0.00000 0.50000 1.00000
  Ga1 Ga 0.50000 0.50000 0.13181 1.00000
  Ga2 Ga 0.50000 0.50000 0.86819 1.00000
  Bi1 Bi 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.00000 0.50000 0.26563 1.00000
  Pt2 Pt 0.50000 0.00000 0.26563 1.00000
  Pt3 Pt 0.00000 0.50000 0.73437 1.00000
  Pt4 Pt 0.50000 0.00000 0.73437 1.00000
  Pt5 Pt 0.50000 0.50000 0.50000 1.00000
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