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Tm5Ge5Pt2

Alexandria ALEX

Alex-ID: agm005659568 · Space group: C2/m (#12)

Basic Information

Formula
Tm5Ge5Pt2
Alex-ID
agm005659568
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
256.76
ų
Cell a
4.2347
Å
Cell b
7.8016
Å
Cell c
8.3624
Å
α angle
89.33
°
β angle
75.33
°
γ angle
74.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm5Ge5Pt2
Tm
5.00 · 41.7%
Ge
5.00 · 41.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0842
eV/atom
Formation energy
-0.9001
eV/atom
Corrected total energy
-68.4214
eV
Raw total energy
-68.4213
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9155
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_26_spg12

Decomposition

Tm3Ge3Pt2 TmGe

Computed at

2023-06-19 00:00:03.683234

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: agm005659568).

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 agm005659568
data_agm005659568
_cell_length_a     4.23467
_cell_length_b     7.80164
_cell_length_c     8.36243
_cell_angle_alpha  89.33226
_cell_angle_beta   75.33329
_cell_angle_gamma  74.25264
_cell_volume       256.75536
_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 0.00000 0.50000 0.50000 1.00000
  Tm2 Tm 0.69489 0.69132 0.91889 1.00000
  Tm3 Tm 0.37248 0.93171 0.32333 1.00000
  Tm4 Tm 0.62752 0.06829 0.67667 1.00000
  Tm5 Tm 0.30511 0.30868 0.08111 1.00000
  Ge1 Ge 0.72776 0.20799 0.33650 1.00000
  Ge2 Ge 0.94782 0.29561 0.80876 1.00000
  Ge3 Ge 0.05218 0.70439 0.19124 1.00000
  Ge4 Ge 0.27224 0.79201 0.66350 1.00000
  Ge5 Ge 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.38859 0.47138 0.75145 1.00000
  Pt2 Pt 0.61141 0.52862 0.24855 1.00000
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