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Tm4Mn2InGe4

Alexandria ALEX

Alex-ID: agm020075697 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Tm4Mn2InGe4
Alex-ID
agm020075697
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
219.40
ų
Cell a
8.0838
Å
Cell b
8.0838
Å
Cell c
7.0799
Å
α angle
74.21
°
β angle
105.79
°
γ angle
150.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Mn2InGe4
Tm
4.00 · 36.4%
Mn
2.00 · 18.2%
In
1.00 · 9.1%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6367
eV/atom
Corrected total energy
-64.4371
eV
Raw total energy
-64.4371
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0157
eV
DOS at Fermi level
6.8677
Total magnetisation
5.1990
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Tm4Mn2InGe4

Computed at

2025-01-02 17:02:00

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: agm020075697).

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 agm020075697
data_agm020075697
_cell_length_a     8.08376
_cell_length_b     8.08376
_cell_length_c     7.07988
_cell_angle_alpha  74.20705
_cell_angle_beta   105.79295
_cell_angle_gamma  150.38185
_cell_volume       219.40242
_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 0.65556 0.34444 0.42534 1.00000
  Tm2 Tm 0.34444 0.65556 0.57466 1.00000
  Tm3 Tm 0.58262 0.41738 0.87043 1.00000
  Tm4 Tm 0.41738 0.58262 0.12957 1.00000
  Mn1 Mn 0.77662 0.22338 0.88832 1.00000
  Mn2 Mn 0.22338 0.77662 0.11168 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.93164 0.06836 0.84682 1.00000
  Ge2 Ge 0.06836 0.93164 0.15318 1.00000
  Ge3 Ge 0.80477 0.19523 0.25758 1.00000
  Ge4 Ge 0.19523 0.80477 0.74242 1.00000
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