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Sm2HoSn

Alexandria ALEX

Alex-ID: agm005684887 · Space group: C2/m (#12)

Basic Information

Formula
Sm2HoSn
Alex-ID
agm005684887
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
248.53
ų
Cell a
3.6401
Å
Cell b
6.5010
Å
Cell c
12.1096
Å
α angle
77.84
°
β angle
72.48
°
γ angle
106.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2HoSn
Sm
4.00 · 50.0%
Ho
2.00 · 25.0%
Sn
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1537
eV/atom
Formation energy
-0.3277
eV/atom
Corrected total energy
-38.6781
eV
Raw total energy
-38.6781
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0506
eV
DOS at Fermi level
10.3027
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

ABC2_5717_spg1

Decomposition

Sm2Ho7 Sm3Ho2Sn3 Sm

Computed at

2023-07-14 17:54:31.243405

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: agm005684887).

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 agm005684887
data_agm005684887
_cell_length_a     3.64011
_cell_length_b     6.50101
_cell_length_c     12.10964
_cell_angle_alpha  77.83894
_cell_angle_beta   72.48474
_cell_angle_gamma  106.17336
_cell_volume       248.52802
_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 0.72545 0.67748 0.61373 1.00000
  Sm2 Sm 0.24877 0.79462 0.14933 1.00000
  Sm3 Sm 0.27455 0.32252 0.38627 1.00000
  Sm4 Sm 0.75123 0.20538 0.85067 1.00000
  Ho1 Ho 0.96408 0.71216 0.89271 1.00000
  Ho2 Ho 0.03592 0.28784 0.10729 1.00000
  Sn1 Sn 0.57499 0.87787 0.36473 1.00000
  Sn2 Sn 0.42501 0.12213 0.63527 1.00000
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