Navigation

HEAS Data Platform · Materials Science Database

Tm4CoSn

Alexandria ALEX

Alex-ID: agm005805314 · Space group: C2/c (#15)

Basic Information

Formula
Tm4CoSn
Alex-ID
agm005805314
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
307.45
ų
Cell a
5.8541
Å
Cell b
7.7851
Å
Cell c
7.7851
Å
α angle
112.72
°
β angle
100.94
°
γ angle
100.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4CoSn
Tm
8.00 · 66.7%
Co
2.00 · 16.7%
Sn
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0542
eV/atom
Formation energy
-0.3861
eV/atom
Corrected total energy
-62.6586
eV
Raw total energy
-62.6586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0289
eV
DOS at Fermi level
9.7199
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_1160_spg15

Decomposition

Tm3Co Tm12Co5Sn Tm5Sn3

Computed at

2023-07-28 02:27:51.595664

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: agm005805314).

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 agm005805314
data_agm005805314
_cell_length_a     5.85412
_cell_length_b     7.78508
_cell_length_c     7.78508
_cell_angle_alpha  112.72329
_cell_angle_beta   100.94127
_cell_angle_gamma  100.94127
_cell_volume       307.45367
_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 0.86696 0.64173 0.79136 1.00000
  Tm2 Tm 0.05516 0.94608 0.27251 1.00000
  Tm3 Tm 0.63304 0.20864 0.35827 1.00000
  Tm4 Tm 0.44484 0.72749 0.05392 1.00000
  Tm5 Tm 0.55516 0.27251 0.94608 1.00000
  Tm6 Tm 0.36696 0.79136 0.64173 1.00000
  Tm7 Tm 0.94484 0.05392 0.72749 1.00000
  Tm8 Tm 0.13304 0.35827 0.20864 1.00000
  Co1 Co 0.25000 0.99998 0.00002 1.00000
  Co2 Co 0.75000 0.00002 0.99998 1.00000
  Sn1 Sn 0.75000 0.62813 0.37187 1.00000
  Sn2 Sn 0.25000 0.37187 0.62813 1.00000
Get direct link