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Tm4Ni2SnGe4

Alexandria ALEX

Alex-ID: agm020067339 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Tm4Ni2SnGe4
Alex-ID
agm020067339
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
214.25
ų
Cell a
7.9216
Å
Cell b
7.9216
Å
Cell c
7.0696
Å
α angle
71.50
°
β angle
71.50
°
γ angle
30.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Ni2SnGe4
Tm
4.00 · 36.4%
Ni
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
-0.7698
eV/atom
Corrected total energy
-60.3884
eV
Raw total energy
-60.3884
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0720
eV
DOS at Fermi level
4.6110
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Tm4Ni2SnGe4

Computed at

2024-11-10 11:32:11.755490

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: agm020067339).

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 agm020067339
data_agm020067339
_cell_length_a     7.92156
_cell_length_b     7.92156
_cell_length_c     7.06956
_cell_angle_alpha  71.50197
_cell_angle_beta   71.50197
_cell_angle_gamma  30.75902
_cell_volume       214.24634
_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 0.34504 0.34504 0.43845 1.00000
  Tm2 Tm 0.65496 0.65496 0.56155 1.00000
  Tm3 Tm 0.41227 0.41227 0.88313 1.00000
  Tm4 Tm 0.58773 0.58773 0.11687 1.00000
  Ni1 Ni 0.22168 0.22168 0.88310 1.00000
  Ni2 Ni 0.77832 0.77832 0.11690 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.07018 0.07018 0.84218 1.00000
  Ge2 Ge 0.92982 0.92982 0.15782 1.00000
  Ge3 Ge 0.20322 0.20322 0.24370 1.00000
  Ge4 Ge 0.79678 0.79678 0.75630 1.00000
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