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Yb4Mn2Sn5

Alexandria ALEX

Alex-ID: agm005508606 · Space group: C2/m (#12)

Basic Information

Formula
Yb4Mn2Sn5
Alex-ID
agm005508606
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
278.08
ų
Cell a
8.5485
Å
Cell b
8.5485
Å
Cell c
7.7075
Å
α angle
72.78
°
β angle
72.78
°
γ angle
31.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb4Mn2Sn5
Yb
4.00 · 36.4%
Mn
2.00 · 18.2%
Sn
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0755
eV/atom
Formation energy
-0.4408
eV/atom
Corrected total energy
-49.3059
eV
Raw total energy
-49.3059
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
57.2321
Total magnetisation
7.6552
μB

Additional Information

Prototype ID

A2B4C5_115_spg12

Decomposition

Yb3Sn5 Mn YbSn

Computed at

2023-03-16 08:28:14.242038

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: agm005508606).

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 agm005508606
data_agm005508606
_cell_length_a     8.54853
_cell_length_b     8.54853
_cell_length_c     7.70752
_cell_angle_alpha  72.77523
_cell_angle_beta   72.77523
_cell_angle_gamma  31.25444
_cell_volume       278.07591
_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 0.08137 0.08137 0.13004 1.00000
  Yb2 Yb 0.15006 0.15006 0.55629 1.00000
  Yb3 Yb 0.91863 0.91863 0.86996 1.00000
  Yb4 Yb 0.84994 0.84994 0.44371 1.00000
  Mn1 Mn 0.72487 0.72487 0.89105 1.00000
  Mn2 Mn 0.27513 0.27513 0.10895 1.00000
  Sn1 Sn 0.57136 0.57136 0.83485 1.00000
  Sn2 Sn 0.69749 0.69749 0.25621 1.00000
  Sn3 Sn 0.50000 0.50000 0.50000 1.00000
  Sn4 Sn 0.42864 0.42864 0.16515 1.00000
  Sn5 Sn 0.30251 0.30251 0.74379 1.00000
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