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Sr8Ni4Pt

Alexandria ALEX

Alex-ID: agm098069986 · Space group: Pm (#6)

Basic Information

Formula
Sr8Ni4Pt
Alex-ID
agm098069986
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
425.35
ų
Cell a
4.3290
Å
Cell b
10.6327
Å
Cell c
10.1281
Å
α angle
65.84
°
β angle
89.99
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Ni4Pt
Sr
8.00 · 61.5%
Ni
4.00 · 30.8%
Pt
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1542
eV/atom
Formation energy
-0.0775
eV/atom
Corrected total energy
-43.7467
eV
Raw total energy
-43.7467
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0592
eV
DOS at Fermi level
8.8862
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1238_spg8

Decomposition

SrNi Sr4Pt

Computed at

2025-06-17 10:15:44

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: agm098069986).

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 agm098069986
data_agm098069986
_cell_length_a     4.32898
_cell_length_b     10.63275
_cell_length_c     10.12813
_cell_angle_alpha  65.84054
_cell_angle_beta   89.99140
_cell_angle_gamma  90.00623
_cell_volume       425.35326
_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 0.88415 0.37044 0.08820 1.00000
  Sr2 Sr 0.88423 0.75897 0.16722 1.00000
  Sr3 Sr 0.38505 0.64491 0.53649 1.00000
  Sr4 Sr 0.88436 0.04249 0.73966 1.00000
  Sr5 Sr 0.38360 0.02024 0.30169 1.00000
  Sr6 Sr 0.38442 0.35760 0.42849 1.00000
  Sr7 Sr 0.38455 0.29185 0.84031 1.00000
  Sr8 Sr 0.38462 0.71507 0.85601 1.00000
  Ni1 Ni 0.88438 0.07085 0.04754 1.00000
  Ni2 Ni 0.88542 0.54870 0.75615 1.00000
  Ni3 Ni 0.88539 0.41331 0.61617 1.00000
  Ni4 Ni 0.88553 0.79393 0.62594 1.00000
  Pt1 Pt 0.38430 0.97162 0.99613 1.00000
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