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Y4NiSn8

Alexandria ALEX

Alex-ID: agm097645646 · Space group: Amm2 (#38)

Basic Information

Formula
Y4NiSn8
Alex-ID
agm097645646
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
341.10
ų
Cell a
4.6044
Å
Cell b
9.6319
Å
Cell c
8.5620
Å
α angle
63.94
°
β angle
90.00
°
γ angle
89.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y4NiSn8
Y
4.00 · 30.8%
Ni
1.00 · 7.7%
Sn
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1129
eV/atom
Formation energy
-0.4917
eV/atom
Corrected total energy
-70.0504
eV
Raw total energy
-70.0504
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0167
eV
DOS at Fermi level
6.0385
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1223_spg38

Decomposition

YNiSn2 YSn2

Computed at

2025-06-17 14:08:32

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: agm097645646).

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 agm097645646
data_agm097645646
_cell_length_a     4.60444
_cell_length_b     9.63195
_cell_length_c     8.56196
_cell_angle_alpha  63.93519
_cell_angle_beta   89.99993
_cell_angle_gamma  89.91662
_cell_volume       341.10166
_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
  Y1 Y 0.07597 0.90016 0.05155 1.00000
  Y2 Y 0.07697 0.55490 0.97616 1.00000
  Y3 Y 0.07697 0.55419 0.46934 1.00000
  Y4 Y 0.07557 0.90222 0.55049 1.00000
  Ni1 Ni 0.57591 0.08609 0.95618 1.00000
  Sn1 Sn 0.57868 0.25738 0.12369 1.00000
  Sn2 Sn 0.57685 0.61838 0.19151 1.00000
  Sn3 Sn 0.57676 0.59947 0.70018 1.00000
  Sn4 Sn 0.57861 0.25515 0.61703 1.00000
  Sn5 Sn 0.57583 0.87170 0.31559 1.00000
  Sn6 Sn 0.07872 0.26154 0.36733 1.00000
  Sn7 Sn 0.07732 0.26859 0.86470 1.00000
  Sn8 Sn 0.57586 0.87023 0.81626 1.00000
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