Navigation

HEAS Data Platform · Materials Science Database

Sr2Ac3Pt4

Alexandria ALEX

Alex-ID: agm005641934 · Space group: C2/c (#15)

Basic Information

Formula
Sr2Ac3Pt4
Alex-ID
agm005641934
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
550.75
ų
Cell a
6.2305
Å
Cell b
9.5887
Å
Cell c
9.5887
Å
α angle
74.59
°
β angle
93.36
°
γ angle
93.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ac3Pt4
Sr
4.00 · 22.2%
Ac
6.00 · 33.3%
Pt
8.00 · 44.4%

Energy & Stability

Energy above hull
0.0758
eV/atom
Formation energy
-0.9136
eV/atom
Corrected total energy
-96.5569
eV
Raw total energy
-96.5568
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0318
eV
DOS at Fermi level
10.7879
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_452_spg15

Decomposition

Sr3Pt2 Sr7Pt3 AcPt

Computed at

2023-06-28 23:32:58.934231

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: agm005641934).

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 agm005641934
data_agm005641934
_cell_length_a     6.23050
_cell_length_b     9.58871
_cell_length_c     9.58871
_cell_angle_alpha  74.58790
_cell_angle_beta   93.36349
_cell_angle_gamma  93.36349
_cell_volume       550.74911
_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
  Sr1 Sr 0.63577 0.41497 0.18657 1.00000
  Sr2 Sr 0.86423 0.81343 0.58503 1.00000
  Sr3 Sr 0.36423 0.58503 0.81343 1.00000
  Sr4 Sr 0.13577 0.18657 0.41497 1.00000
  Ac1 Ac 0.06347 0.21696 0.99119 1.00000
  Ac2 Ac 0.43653 0.00881 0.78304 1.00000
  Ac3 Ac 0.93653 0.78304 0.00881 1.00000
  Ac4 Ac 0.56347 0.99119 0.21696 1.00000
  Ac5 Ac 0.75000 0.37075 0.62925 1.00000
  Ac6 Ac 0.25000 0.62925 0.37075 1.00000
  Pt1 Pt 0.55778 0.25107 0.93575 1.00000
  Pt2 Pt 0.94222 0.06425 0.74893 1.00000
  Pt3 Pt 0.44222 0.74893 0.06425 1.00000
  Pt4 Pt 0.05778 0.93575 0.25107 1.00000
  Pt5 Pt 0.13268 0.47575 0.14033 1.00000
  Pt6 Pt 0.36732 0.85967 0.52425 1.00000
  Pt7 Pt 0.86732 0.52425 0.85967 1.00000
  Pt8 Pt 0.63268 0.14033 0.47575 1.00000
Get direct link