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SrNi2Pt

Alexandria ALEX

Alex-ID: agm002868024 · Space group: I-42d (#122)

Basic Information

Formula
SrNi2Pt
Alex-ID
agm002868024
Elements
3
Sites
8
Space group
I-42d (#122)
Crystal system
tetragonal
Volume
175.02
ų
Cell a
4.5196
Å
Cell b
4.5196
Å
Cell c
9.1451
Å
α angle
75.69
°
β angle
75.69
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrNi2Pt
Sr
2.00 · 25.0%
Pt
2.00 · 25.0%
Ni
4.00 · 50.0%

Energy & Stability

Energy above hull
0.3469
eV/atom
Formation energy
-0.0513
eV/atom
Corrected total energy
-39.1009
eV
Raw total energy
-39.1009
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4431
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_139_spg141

Decomposition

Ni SrPt

Computed at

2016-12-29 14:13:55

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: agm002868024).

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 agm002868024
data_agm002868024
_cell_length_a     4.51958
_cell_length_b     4.51958
_cell_length_c     9.14506
_cell_angle_alpha  75.69373
_cell_angle_beta   75.69373
_cell_angle_gamma  90.00000
_cell_volume       175.02483
_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 0.50000 0.50000 0.00000 1.00000
  Sr2 Sr 0.25000 0.75000 0.50000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  Pt2 Pt 0.75000 0.25000 0.50000 1.00000
  Ni1 Ni 0.82900 0.12500 0.25000 1.00000
  Ni2 Ni 0.92100 0.62500 0.25000 1.00000
  Ni3 Ni 0.37500 0.17100 0.75000 1.00000
  Ni4 Ni 0.87500 0.07900 0.75000 1.00000
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