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Eu2SiNi3

Alexandria ALEX

Alex-ID: agm002355892 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Eu2SiNi3
Alex-ID
agm002355892
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
99.40
ų
Cell a
5.0669
Å
Cell b
5.0670
Å
Cell c
5.0670
Å
α angle
63.65
°
β angle
63.65
°
γ angle
63.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2SiNi3
Eu
2.00 · 33.3%
Ni
3.00 · 50.0%
Si
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0818
eV/atom
Formation energy
-0.3440
eV/atom
Corrected total energy
-45.3876
eV
Raw total energy
-45.3876
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0151
eV
DOS at Fermi level
8.4168
Total magnetisation
13.8198
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

EuSiNi2 EuNi

Computed at

2019-02-05 10:20:23

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: agm002355892).

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 agm002355892
data_agm002355892
_cell_length_a     5.06690
_cell_length_b     5.06701
_cell_length_c     5.06701
_cell_angle_alpha  63.64815
_cell_angle_beta   63.64740
_cell_angle_gamma  63.64740
_cell_volume       99.39898
_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
  Eu1 Eu 0.62419 0.62419 0.62419 1.00000
  Eu2 Eu 0.37581 0.37581 0.37581 1.00000
  Ni1 Ni 0.00000 0.00000 0.50000 1.00000
  Ni2 Ni 0.00000 0.50000 0.00000 1.00000
  Ni3 Ni 0.50000 0.00000 0.00000 1.00000
  Si1 Si 0.00000 0.00000 0.00000 1.00000
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