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Yb3(AgSn)4

Alexandria ALEX

Alex-ID: agm083144591 · Space group: Immm (#71)

Basic Information

Formula
Yb3(AgSn)4
Alex-ID
agm083144591
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
268.13
ų
Cell a
8.8551
Å
Cell b
8.8551
Å
Cell c
8.8551
Å
α angle
149.65
°
β angle
129.60
°
γ angle
59.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb3(AgSn)4
Yb
3.00 · 27.3%
Ag
4.00 · 36.4%
Sn
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0269
eV/atom
Formation energy
-0.4271
eV/atom
Corrected total energy
-36.6925
eV
Raw total energy
-36.6925
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
47.6119
Total magnetisation
0.2434
μB

Additional Information

Prototype ID

A3B4C4_27_spg12

Decomposition

YbAg2Sn YbAgSn YbSn3

Computed at

2025-02-28 12:00:41

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: agm083144591).

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 agm083144591
data_agm083144591
_cell_length_a     8.85513
_cell_length_b     8.85513
_cell_length_c     8.85513
_cell_angle_alpha  149.64946
_cell_angle_beta   129.59940
_cell_angle_gamma  59.97578
_cell_volume       268.12751
_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
  Yb1 Yb 0.62626 0.12626 0.50000 1.00000
  Yb2 Yb 0.37374 0.87374 0.50000 1.00000
  Yb3 Yb 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.63286 0.32781 0.30505 1.00000
  Ag2 Ag 0.36714 0.67219 0.69495 1.00000
  Ag3 Ag 0.02276 0.32781 0.69495 1.00000
  Ag4 Ag 0.97724 0.67219 0.30505 1.00000
  Sn1 Sn 0.21790 0.21790 0.00000 1.00000
  Sn2 Sn 0.78210 0.78210 0.00000 1.00000
  Sn3 Sn 0.69162 0.50000 0.19162 1.00000
  Sn4 Sn 0.30838 0.50000 0.80838 1.00000
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