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Sm8Ho3

Alexandria ALEX

Alex-ID: agm007785166 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Ho3
Alex-ID
agm007785166
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
362.89
ų
Cell a
6.2382
Å
Cell b
6.2382
Å
Cell c
12.9766
Å
α angle
76.18
°
β angle
76.18
°
γ angle
48.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Ho3
Sm
8.00 · 72.7%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0200
eV/atom
Formation energy
0.0185
eV/atom
Corrected total energy
-51.3204
eV
Raw total energy
-51.3204
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9446
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_40_spg12

Decomposition

Sm2Ho7 Sm

Computed at

2024-05-15 16:51:17.375287

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: agm007785166).

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 agm007785166
data_agm007785166
_cell_length_a     6.23822
_cell_length_b     6.23822
_cell_length_c     12.97659
_cell_angle_alpha  76.18463
_cell_angle_beta   76.18463
_cell_angle_gamma  48.11798
_cell_volume       362.89132
_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 0.72786 0.72786 0.40876 1.00000
  Sm2 Sm 0.27214 0.27214 0.59124 1.00000
  Sm3 Sm 0.54573 0.54573 0.68215 1.00000
  Sm4 Sm 0.45427 0.45427 0.31785 1.00000
  Sm5 Sm 0.81895 0.81895 0.77261 1.00000
  Sm6 Sm 0.18105 0.18105 0.22739 1.00000
  Sm7 Sm 0.63593 0.63593 0.04573 1.00000
  Sm8 Sm 0.36407 0.36407 0.95427 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Ho2 Ho 0.90885 0.90885 0.13529 1.00000
  Ho3 Ho 0.09115 0.09115 0.86471 1.00000
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