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SmDy7Y3

Alexandria ALEX

Alex-ID: agm005962407 · Space group: P2/m (#10)

Basic Information

Formula
SmDy7Y3
Alex-ID
agm005962407
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
360.48
ų
Cell a
8.9318
Å
Cell b
9.9104
Å
Cell c
5.5492
Å
α angle
89.99
°
β angle
128.41
°
γ angle
105.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SmDy7Y3
Sm
1.00 · 9.1%
Dy
7.00 · 63.6%
Y
3.00 · 27.3%

Energy & Stability

Energy above hull
0.1555
eV/atom
Formation energy
0.1513
eV/atom
Corrected total energy
-54.6742
eV
Raw total energy
-54.6742
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.7511
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C7_250_spg10

Decomposition

Dy5Y SmDy5 DyY5

Computed at

2023-08-12 23:15:17.850166

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: agm005962407).

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 agm005962407
data_agm005962407
_cell_length_a     8.93182
_cell_length_b     9.91039
_cell_length_c     5.54919
_cell_angle_alpha  89.98963
_cell_angle_beta   128.41018
_cell_angle_gamma  105.94914
_cell_volume       360.47599
_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 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.91746 0.83100 0.91754 1.00000
  Dy2 Dy 0.82285 0.64238 0.32291 1.00000
  Dy3 Dy 0.64626 0.29176 0.14635 1.00000
  Dy4 Dy 0.35374 0.70824 0.85365 1.00000
  Dy5 Dy 0.50000 0.00000 0.50000 1.00000
  Dy6 Dy 0.17715 0.35762 0.67709 1.00000
  Dy7 Dy 0.08254 0.16900 0.08246 1.00000
  Y1 Y 0.22158 0.00058 0.72177 1.00000
  Y2 Y 0.00000 0.50000 0.00000 1.00000
  Y3 Y 0.77842 0.99942 0.27823 1.00000
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