Navigation

HEAS Data Platform · Materials Science Database

Sm2Dy2Ho

Alexandria ALEX

Alex-ID: agm014348367 · Space group: Immm (#71)

Basic Information

Formula
Sm2Dy2Ho
Alex-ID
agm014348367
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
160.94
ų
Cell a
9.4401
Å
Cell b
9.4401
Å
Cell c
9.4401
Å
α angle
158.18
°
β angle
148.97
°
γ angle
38.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2Dy2Ho
Sm
2.00 · 40.0%
Dy
2.00 · 40.0%
Ho
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0225
eV/atom
Formation energy
0.0184
eV/atom
Corrected total energy
-23.1412
eV
Raw total energy
-23.1412
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.7558
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_419_spg12

Decomposition

Sm3(DyHo2)2 Sm4DyHo SmDy5

Computed at

2025-04-16 04:32:49

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: agm014348367).

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 agm014348367
data_agm014348367
_cell_length_a     9.44011
_cell_length_b     9.44011
_cell_length_c     9.44011
_cell_angle_alpha  158.18142
_cell_angle_beta   148.97099
_cell_angle_gamma  38.25418
_cell_volume       160.94218
_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 0.19884 0.69884 0.50000 1.00000
  Sm2 Sm 0.80116 0.30116 0.50000 1.00000
  Dy1 Dy 0.59846 0.09846 0.50000 1.00000
  Dy2 Dy 0.40154 0.90154 0.50000 1.00000
  Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Get direct link