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Tm2CoSn

Alexandria ALEX

Alex-ID: agm003619081 · Space group: Immm (#71)

Basic Information

Formula
Tm2CoSn
Alex-ID
agm003619081
Elements
3
Sites
4
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
96.30
ų
Cell a
4.0093
Å
Cell b
4.8739
Å
Cell c
5.8497
Å
α angle
114.60
°
β angle
110.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm2CoSn
Tm
2.00 · 50.0%
Co
1.00 · 25.0%
Sn
1.00 · 25.0%

Energy & Stability

Energy above hull
0.2741
eV/atom
Formation energy
-0.2635
eV/atom
Corrected total energy
-21.1236
eV
Raw total energy
-21.1236
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6746
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC2_213_spg44

Decomposition

TmCo3 Tm5Sn3

Computed at

2022-04-14 08:12:29.766616

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: agm003619081).

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 agm003619081
data_agm003619081
_cell_length_a     4.00933
_cell_length_b     4.87388
_cell_length_c     5.84966
_cell_angle_alpha  114.59909
_cell_angle_beta   109.99941
_cell_angle_gamma  90.00233
_cell_volume       96.30007
_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 0.16937 0.92790 0.33779 1.00000
  Tm2 Tm 0.83129 0.58996 0.66220 1.00000
  Co1 Co 0.50036 0.75905 0.99996 1.00000
  Sn1 Sn 0.49897 0.25908 0.00005 1.00000
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