Navigation

HEAS Data Platform · Materials Science Database

Sm4Tm5

Alexandria ALEX

Alex-ID: agm009013271 · Space group: C2/m (#12)

Basic Information

Formula
Sm4Tm5
Alex-ID
agm009013271
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
283.87
ų
Cell a
7.9185
Å
Cell b
7.9185
Å
Cell c
10.6433
Å
α angle
77.27
°
β angle
77.27
°
γ angle
25.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm4Tm5
Sm
4.00 · 44.4%
Tm
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0216
eV/atom
Formation energy
0.0180
eV/atom
Corrected total energy
-41.0895
eV
Raw total energy
-41.0895
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.2106
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_446_spg71

Decomposition

SmTm2 Sm

Computed at

2024-05-10 15:50:20.683089

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: agm009013271).

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 agm009013271
data_agm009013271
_cell_length_a     7.91852
_cell_length_b     7.91852
_cell_length_c     10.64331
_cell_angle_alpha  77.26841
_cell_angle_beta   77.26841
_cell_angle_gamma  25.89198
_cell_volume       283.87430
_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
  Sm1 Sm 0.66649 0.66649 0.11116 1.00000
  Sm2 Sm 0.33351 0.33351 0.88884 1.00000
  Sm3 Sm 0.99875 0.99875 0.33373 1.00000
  Sm4 Sm 0.00125 0.00125 0.66627 1.00000
  Tm1 Tm 0.33351 0.33351 0.22309 1.00000
  Tm2 Tm 0.66649 0.66649 0.77691 1.00000
  Tm3 Tm 0.66832 0.66832 0.44492 1.00000
  Tm4 Tm 0.33168 0.33168 0.55508 1.00000
  Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Get direct link