Navigation

HEAS Data Platform · Materials Science Database

Ho2Tm3Sn2

Alexandria ALEX

Alex-ID: agm003310293 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Tm3Sn2
Alex-ID
agm003310293
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
203.58
ų
Cell a
4.4174
Å
Cell b
6.2600
Å
Cell c
8.3562
Å
α angle
108.37
°
β angle
90.00
°
γ angle
110.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm3Sn2
Ho
2.00 · 28.6%
Tm
3.00 · 42.9%
Sn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1060
eV/atom
Formation energy
-0.4409
eV/atom
Corrected total energy
-33.6632
eV
Raw total energy
-33.6632
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1455
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B2C3_252_spg12

Decomposition

HoTm17 Tm5Sn3 Ho3Tm2Sn3

Computed at

2022-02-03 23:19:15.025356

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: agm003310293).

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 agm003310293
data_agm003310293
_cell_length_a     4.41745
_cell_length_b     6.26003
_cell_length_c     8.35615
_cell_angle_alpha  108.37379
_cell_angle_beta   90.00000
_cell_angle_gamma  110.66050
_cell_volume       203.57624
_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
  Ho1 Ho 0.86754 0.73509 0.21694 1.00000
  Ho2 Ho 0.13246 0.26491 0.78306 1.00000
  Tm1 Tm 0.50000 0.00000 0.00000 1.00000
  Tm2 Tm 0.62476 0.24952 0.43672 1.00000
  Tm3 Tm 0.37524 0.75048 0.56329 1.00000
  Sn1 Sn 0.82745 0.65489 0.80345 1.00000
  Sn2 Sn 0.17255 0.34511 0.19655 1.00000
Get direct link