Navigation

HEAS Data Platform · Materials Science Database

Sm6Ho8Sn

Alexandria ALEX

Alex-ID: agm006017499 · Space group: P-3 (#147)

Basic Information

Formula
Sm6Ho8Sn
Alex-ID
agm006017499
Elements
3
Sites
15
Space group
P-3 (#147)
Crystal system
trigonal
Volume
486.13
ų
Cell a
6.4208
Å
Cell b
9.3501
Å
Cell c
9.3501
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm6Ho8Sn
Sm
6.00 · 40.0%
Ho
8.00 · 53.3%
Sn
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1724
eV/atom
Formation energy
0.0414
eV/atom
Corrected total energy
-68.3508
eV
Raw total energy
-68.3508
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.7670
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_77_spg147

Decomposition

Sm2Ho7 Sm3Ho2Sn3 Sm

Computed at

2023-08-31 15:05:29.568648

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: agm006017499).

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 agm006017499
data_agm006017499
_cell_length_a     6.42077
_cell_length_b     9.35013
_cell_length_c     9.35013
_cell_angle_alpha  120.00001
_cell_angle_beta   89.99999
_cell_angle_gamma  90.00000
_cell_volume       486.13083
_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 0.67986 0.64130 0.09084 1.00000
  Sm2 Sm 0.67986 0.90916 0.55046 1.00000
  Sm3 Sm 0.67986 0.44954 0.35870 1.00000
  Sm4 Sm 0.32024 0.35849 0.90915 1.00000
  Sm5 Sm 0.32024 0.09085 0.44935 1.00000
  Sm6 Sm 0.32024 0.55065 0.64151 1.00000
  Ho1 Ho 0.81390 0.03764 0.26206 1.00000
  Ho2 Ho 0.81390 0.73794 0.77557 1.00000
  Ho3 Ho 0.81390 0.22443 0.96236 1.00000
  Ho4 Ho 0.18606 0.96237 0.73762 1.00000
  Ho5 Ho 0.18606 0.26238 0.22475 1.00000
  Ho6 Ho 0.18606 0.77525 0.03763 1.00000
  Ho7 Ho 0.83868 0.33333 0.66667 1.00000
  Ho8 Ho 0.16152 0.66667 0.33333 1.00000
  Sn1 Sn 0.49962 0.00000 0.00000 1.00000
Get direct link