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Tm(CoSn)2

Alexandria ALEX

Alex-ID: agm003399208 · Space group: P2_1/m (#11)

Basic Information

Formula
Tm(CoSn)2
Alex-ID
agm003399208
Elements
3
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
191.02
ų
Cell a
4.2089
Å
Cell b
4.4951
Å
Cell c
10.1844
Å
α angle
97.53
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm(CoSn)2
Tm
2.00 · 20.0%
Co
4.00 · 40.0%
Sn
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0838
eV/atom
Formation energy
-0.2542
eV/atom
Corrected total energy
-55.9918
eV
Raw total energy
-55.9918
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0108
eV
DOS at Fermi level
7.3996
Total magnetisation
1.3869
μB

Additional Information

Prototype ID

AB2C2_73_spg11

Decomposition

TmCoSn Tm7Co6Sn23 Co

Computed at

2022-02-10 04:58:06.244151

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: agm003399208).

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 agm003399208
data_agm003399208
_cell_length_a     4.20895
_cell_length_b     4.49514
_cell_length_c     10.18435
_cell_angle_alpha  97.53198
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       191.02340
_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 0.25000 0.69724 0.24962 1.00000
  Tm2 Tm 0.75000 0.30276 0.75038 1.00000
  Co1 Co 0.25000 0.79917 0.63715 1.00000
  Co2 Co 0.75000 0.20083 0.36285 1.00000
  Co3 Co 0.25000 0.37680 0.00111 1.00000
  Co4 Co 0.75000 0.62320 0.99889 1.00000
  Sn1 Sn 0.25000 0.83779 0.88091 1.00000
  Sn2 Sn 0.75000 0.16221 0.11909 1.00000
  Sn3 Sn 0.25000 0.25668 0.50428 1.00000
  Sn4 Sn 0.75000 0.74332 0.49572 1.00000
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