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Tm3(CoGe2)2

Alexandria ALEX

Alex-ID: agm003337795 · Space group: C2/m (#12)

Basic Information

Formula
Tm3(CoGe2)2
Alex-ID
agm003337795
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
164.05
ų
Cell a
4.1375
Å
Cell b
5.6377
Å
Cell c
7.9269
Å
α angle
106.24
°
β angle
90.00
°
γ angle
111.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm3(CoGe2)2
Tm
3.00 · 33.3%
Co
2.00 · 22.2%
Ge
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7084
eV/atom
Corrected total energy
-52.5074
eV
Raw total energy
-52.5074
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6123
Total magnetisation
-0.0008
μB

Additional Information

Prototype ID

A2B3C4_373_spg12

Decomposition

Tm3(CoGe2)2

Computed at

2022-01-27 01:49:13.287478

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: agm003337795).

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 agm003337795
data_agm003337795
_cell_length_a     4.13751
_cell_length_b     5.63772
_cell_length_c     7.92695
_cell_angle_alpha  106.23932
_cell_angle_beta   90.00000
_cell_angle_gamma  111.52758
_cell_volume       164.04965
_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 0.62433 0.24865 0.69311 1.00000
  Tm2 Tm 0.00000 0.00000 0.00000 1.00000
  Tm3 Tm 0.37567 0.75135 0.30689 1.00000
  Co1 Co 0.69130 0.38259 0.37352 1.00000
  Co2 Co 0.30870 0.61741 0.62648 1.00000
  Ge1 Ge 0.70808 0.41616 0.08039 1.00000
  Ge2 Ge 0.29192 0.58384 0.91961 1.00000
  Ge3 Ge 0.90554 0.81108 0.60091 1.00000
  Ge4 Ge 0.09446 0.18892 0.39909 1.00000
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