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Tm4Mn2SnGe4

Alexandria ALEX

Alex-ID: agm020108286 · Space group: C2/m (#12)

Basic Information

Formula
Tm4Mn2SnGe4
Alex-ID
agm020108286
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
219.93
ų
Cell a
4.1616
Å
Cell b
7.0888
Å
Cell c
8.0702
Å
α angle
106.44
°
β angle
104.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Mn2SnGe4
Tm
4.00 · 36.4%
Mn
2.00 · 18.2%
Sn
1.00 · 9.1%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6449
eV/atom
Corrected total energy
-65.7913
eV
Raw total energy
-65.7913
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0078
eV
DOS at Fermi level
5.3703
Total magnetisation
5.1346
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Tm5Sn3Ge TmSn2 Tm(MnGe)2 TmGe

Computed at

2025-02-02 09:55:32

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: agm020108286).

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 agm020108286
data_agm020108286
_cell_length_a     4.16162
_cell_length_b     7.08877
_cell_length_c     8.07018
_cell_angle_alpha  106.44142
_cell_angle_beta   104.95200
_cell_angle_gamma  89.99679
_cell_volume       219.92540
_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
  Tm1 Tm 0.65489 0.92707 0.30986 1.00000
  Tm2 Tm 0.34511 0.07293 0.69014 1.00000
  Tm3 Tm 0.58179 0.36690 0.16362 1.00000
  Tm4 Tm 0.41821 0.63310 0.83638 1.00000
  Mn1 Mn 0.77624 0.39138 0.55275 1.00000
  Mn2 Mn 0.22376 0.60862 0.44725 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.93015 0.35002 0.86028 1.00000
  Ge2 Ge 0.06985 0.64998 0.13972 1.00000
  Ge3 Ge 0.80124 0.75526 0.60208 1.00000
  Ge4 Ge 0.19876 0.24474 0.39792 1.00000
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