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Sm5Ho2

Alexandria ALEX

Alex-ID: agm009298600 · Space group: C2/m (#12)

Basic Information

Formula
Sm5Ho2
Alex-ID
agm009298600
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
230.25
ų
Cell a
6.2255
Å
Cell b
6.2255
Å
Cell c
8.0423
Å
α angle
82.56
°
β angle
82.56
°
γ angle
48.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Ho2
Sm
5.00 · 71.4%
Ho
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0218
eV/atom
Formation energy
0.0202
eV/atom
Corrected total energy
-32.6332
eV
Raw total energy
-32.6332
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7456
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_529_spg12

Decomposition

Sm2Ho7 Sm

Computed at

2024-05-10 15:54:10.499005

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: agm009298600).

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 agm009298600
data_agm009298600
_cell_length_a     6.22552
_cell_length_b     6.22552
_cell_length_c     8.04227
_cell_angle_alpha  82.55936
_cell_angle_beta   82.55936
_cell_angle_gamma  48.26594
_cell_volume       230.24666
_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 0.00000 0.00000 0.00000 1.00000
  Sm2 Sm 0.71372 0.71372 0.85486 1.00000
  Sm3 Sm 0.28628 0.28628 0.14514 1.00000
  Sm4 Sm 0.57181 0.57181 0.28742 1.00000
  Sm5 Sm 0.42819 0.42819 0.71258 1.00000
  Ho1 Ho 0.85716 0.85716 0.42981 1.00000
  Ho2 Ho 0.14284 0.14284 0.57019 1.00000
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