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Ac4Ge2Pt5

Alexandria ALEX

Alex-ID: agm005657181 · Space group: P2/m (#10)

Basic Information

Formula
Ac4Ge2Pt5
Alex-ID
agm005657181
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
274.41
ų
Cell a
4.3515
Å
Cell b
7.3962
Å
Cell c
8.5270
Å
α angle
89.21
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4Ge2Pt5
Ac
4.00 · 36.4%
Ge
2.00 · 18.2%
Pt
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0819
eV/atom
Formation energy
-0.9800
eV/atom
Corrected total energy
-66.8881
eV
Raw total energy
-66.8881
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0164
eV
DOS at Fermi level
6.0355
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_206_spg10

Decomposition

Ac2GePt3 AcGePt AcPt

Computed at

2023-06-21 14:30:30.904180

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: agm005657181).

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 agm005657181
data_agm005657181
_cell_length_a     4.35154
_cell_length_b     7.39620
_cell_length_c     8.52697
_cell_angle_alpha  89.20730
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       274.41295
_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 0.50000 0.72818 0.62331 1.00000
  Ac2 Ac 0.50000 0.23759 0.88397 1.00000
  Ac3 Ac 0.50000 0.27182 0.37669 1.00000
  Ac4 Ac 0.50000 0.76241 0.11603 1.00000
  Ge1 Ge 0.00000 0.07672 0.63170 1.00000
  Ge2 Ge 0.00000 0.92328 0.36830 1.00000
  Pt1 Pt 0.00000 0.58223 0.33958 1.00000
  Pt2 Pt 0.00000 0.14634 0.13884 1.00000
  Pt3 Pt 0.00000 0.50000 0.00000 1.00000
  Pt4 Pt 0.00000 0.85366 0.86116 1.00000
  Pt5 Pt 0.00000 0.41777 0.66042 1.00000
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