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Ho12Mn2Sn3

Alexandria ALEX

Alex-ID: agm007973014 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho12Mn2Sn3
Alex-ID
agm007973014
Elements
3
Sites
17
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
458.68
ų
Cell a
8.4164
Å
Cell b
8.4164
Å
Cell c
8.4164
Å
α angle
110.27
°
β angle
110.27
°
γ angle
107.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Mn2Sn3
Ho
12.00 · 70.6%
Mn
2.00 · 11.8%
Sn
3.00 · 17.6%

Energy & Stability

Energy above hull
0.0485
eV/atom
Formation energy
-0.2904
eV/atom
Corrected total energy
-90.2270
eV
Raw total energy
-90.2270
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
12.6841
Total magnetisation
0.3710
μB

Additional Information

Prototype ID

A2B3C12_89_spg139

Decomposition

Ho2Mn17 Ho5Sn3 Ho

Computed at

2024-03-06 22:57:02.176427

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: agm007973014).

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 agm007973014
data_agm007973014
_cell_length_a     8.41642
_cell_length_b     8.41642
_cell_length_c     8.41642
_cell_angle_alpha  110.27191
_cell_angle_beta   110.27191
_cell_angle_gamma  107.88143
_cell_volume       458.68105
_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 0.30208 0.30208 0.60416 1.00000
  Ho2 Ho 0.69792 0.69792 0.39584 1.00000
  Ho3 Ho 0.69792 0.30208 0.00000 1.00000
  Ho4 Ho 0.30208 0.69792 0.00000 1.00000
  Ho5 Ho 0.78820 0.03392 0.24573 1.00000
  Ho6 Ho 0.21180 0.96608 0.75427 1.00000
  Ho7 Ho 0.78820 0.54247 0.75427 1.00000
  Ho8 Ho 0.54247 0.78820 0.75427 1.00000
  Ho9 Ho 0.21180 0.45753 0.24573 1.00000
  Ho10 Ho 0.45753 0.21180 0.24573 1.00000
  Ho11 Ho 0.03392 0.78820 0.24573 1.00000
  Ho12 Ho 0.96608 0.21180 0.75427 1.00000
  Mn1 Mn 0.60434 0.60434 0.00000 1.00000
  Mn2 Mn 0.39566 0.39566 0.00000 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Sn2 Sn 0.00000 0.50000 0.50000 1.00000
  Sn3 Sn 0.50000 0.00000 0.50000 1.00000
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