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Ac8Pt5

Alexandria ALEX

Alex-ID: agm005538596 · Space group: C2/m (#12)

Basic Information

Formula
Ac8Pt5
Alex-ID
agm005538596
Elements
2
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
484.71
ų
Cell a
8.8954
Å
Cell b
8.8954
Å
Cell c
8.3528
Å
α angle
105.17
°
β angle
105.82
°
γ angle
119.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Pt5
Ac
8.00 · 61.5%
Pt
5.00 · 38.5%

Energy & Stability

Energy above hull
0.0274
eV/atom
Formation energy
-0.9082
eV/atom
Corrected total energy
-75.1140
eV
Raw total energy
-75.1140
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0693
eV
DOS at Fermi level
7.9898
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B8_13_spg12

Decomposition

Ac7Pt3 Ac3Pt2

Computed at

2023-05-29 13:47:16.618383

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: agm005538596).

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 agm005538596
data_agm005538596
_cell_length_a     8.89536
_cell_length_b     8.89536
_cell_length_c     8.35280
_cell_angle_alpha  105.17396
_cell_angle_beta   105.82104
_cell_angle_gamma  119.88164
_cell_volume       484.71345
_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 0.29636 0.97218 0.26854 1.00000
  Ac2 Ac 0.70364 0.02782 0.73146 1.00000
  Ac3 Ac 0.80256 0.46664 0.26920 1.00000
  Ac4 Ac 0.19744 0.53336 0.73080 1.00000
  Ac5 Ac 0.80801 0.97356 0.26282 1.00000
  Ac6 Ac 0.71073 0.54519 0.73718 1.00000
  Ac7 Ac 0.28927 0.45481 0.26282 1.00000
  Ac8 Ac 0.19199 0.02644 0.73718 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  Pt2 Pt 0.75226 0.25226 0.50000 1.00000
  Pt3 Pt 0.24774 0.74774 0.50000 1.00000
  Pt4 Pt 0.74066 0.73993 0.48059 1.00000
  Pt5 Pt 0.25934 0.26007 0.51941 1.00000
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