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Sr13Ni2

Alexandria ALEX

Alex-ID: agm007769005 · Space group: P-1 (#2)

Basic Information

Formula
Sr13Ni2
Alex-ID
agm007769005
Elements
2
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
713.64
ų
Cell a
7.4045
Å
Cell b
9.5219
Å
Cell c
11.2622
Å
α angle
65.18
°
β angle
83.72
°
γ angle
82.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr13Ni2
Sr
13.00 · 86.7%
Ni
2.00 · 13.3%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
-0.0247
eV/atom
Corrected total energy
-33.9019
eV
Raw total energy
-33.9019
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0088
eV
DOS at Fermi level
11.2407
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

A2B13_2_spg2

Decomposition

Sr6Ni Sr

Computed at

2024-10-27 06:38:57.523407

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: agm007769005).

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 agm007769005
data_agm007769005
_cell_length_a     7.40455
_cell_length_b     9.52187
_cell_length_c     11.26220
_cell_angle_alpha  65.18253
_cell_angle_beta   83.72105
_cell_angle_gamma  82.82571
_cell_volume       713.63861
_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 0.76772 0.46526 0.92101 1.00000
  Sr2 Sr 0.23228 0.53474 0.07899 1.00000
  Sr3 Sr 0.00000 0.00000 0.00000 1.00000
  Sr4 Sr 0.14387 0.69859 0.38153 1.00000
  Sr5 Sr 0.85613 0.30141 0.61847 1.00000
  Sr6 Sr 0.91947 0.14877 0.30593 1.00000
  Sr7 Sr 0.08053 0.85123 0.69407 1.00000
  Sr8 Sr 0.62159 0.77132 0.53152 1.00000
  Sr9 Sr 0.37841 0.22868 0.46848 1.00000
  Sr10 Sr 0.47170 0.07227 0.15697 1.00000
  Sr11 Sr 0.52830 0.92773 0.84303 1.00000
  Sr12 Sr 0.69501 0.62100 0.23066 1.00000
  Sr13 Sr 0.30499 0.37900 0.76934 1.00000
  Ni1 Ni 0.80813 0.88472 0.26796 1.00000
  Ni2 Ni 0.19187 0.11528 0.73204 1.00000
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