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Sm8Y2Ho

Alexandria ALEX

Alex-ID: agm003514745 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Y2Ho
Alex-ID
agm003514745
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
372.63
ų
Cell a
6.6980
Å
Cell b
10.3243
Å
Cell c
10.3243
Å
α angle
38.20
°
β angle
59.55
°
γ angle
59.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Y2Ho
Sm
8.00 · 72.7%
Y
2.00 · 18.2%
Ho
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1704
eV/atom
Formation energy
0.1673
eV/atom
Corrected total energy
-53.4526
eV
Raw total energy
-53.4526
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.9785
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C8_286_spg12

Decomposition

Sm4YHo Sm2Y Sm

Computed at

2022-03-18 14:00:30.717895

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: agm003514745).

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 agm003514745
data_agm003514745
_cell_length_a     6.69803
_cell_length_b     10.32425
_cell_length_c     10.32425
_cell_angle_alpha  38.19582
_cell_angle_beta   59.55363
_cell_angle_gamma  59.55363
_cell_volume       372.62665
_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 0.22712 0.34881 0.82620 1.00000
  Sm2 Sm 0.77288 0.17380 0.65119 1.00000
  Sm3 Sm 0.17020 0.75434 0.75434 1.00000
  Sm4 Sm 0.82980 0.24566 0.24566 1.00000
  Sm5 Sm 0.22712 0.82620 0.34881 1.00000
  Sm6 Sm 0.77288 0.65119 0.17380 1.00000
  Sm7 Sm 0.72613 0.59106 0.59106 1.00000
  Sm8 Sm 0.27387 0.40894 0.40894 1.00000
  Y1 Y 0.58844 0.80160 0.80160 1.00000
  Y2 Y 0.41156 0.19840 0.19840 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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