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Mn(AgSn2)4

Alexandria ALEX

Alex-ID: agm097620107 · Space group: Cm (#8)

Basic Information

Formula
Mn(AgSn2)4
Alex-ID
agm097620107
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
310.66
ų
Cell a
6.4006
Å
Cell b
7.1316
Å
Cell c
8.5201
Å
α angle
53.32
°
β angle
89.99
°
γ angle
85.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn(AgSn2)4
Mn
1.00 · 7.7%
Ag
4.00 · 30.8%
Sn
8.00 · 61.5%

Energy & Stability

Energy above hull
0.0987
eV/atom
Formation energy
0.0923
eV/atom
Corrected total energy
-51.3970
eV
Raw total energy
-51.3970
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
6.9875
Total magnetisation
3.0012
μB

Additional Information

Prototype ID

AB4C8_259_spg8

Decomposition

Ag3Sn Sn MnSn

Computed at

2025-06-16 22:14:22

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: agm097620107).

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 agm097620107
data_agm097620107
_cell_length_a     6.40063
_cell_length_b     7.13157
_cell_length_c     8.52014
_cell_angle_alpha  53.31623
_cell_angle_beta   89.99449
_cell_angle_gamma  85.92582
_cell_volume       310.66383
_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
  Mn1 Mn 0.55136 0.08401 0.95800 1.00000
  Ag1 Ag 0.00050 0.93625 0.03191 1.00000
  Ag2 Ag 0.00626 0.57567 0.98810 1.00000
  Ag3 Ag 0.00623 0.57554 0.43629 1.00000
  Ag4 Ag 0.97581 0.87207 0.56391 1.00000
  Sn1 Sn 0.77381 0.17073 0.18123 1.00000
  Sn2 Sn 0.64900 0.60196 0.19906 1.00000
  Sn3 Sn 0.61826 0.57701 0.71145 1.00000
  Sn4 Sn 0.77392 0.17050 0.64814 1.00000
  Sn5 Sn 0.34623 0.88749 0.31181 1.00000
  Sn6 Sn 0.26967 0.29665 0.35168 1.00000
  Sn7 Sn 0.18265 0.36464 0.81769 1.00000
  Sn8 Sn 0.34631 0.88748 0.80073 1.00000
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