Navigation

HEAS Data Platform · Materials Science Database

Sm8Y2Cd

Alexandria ALEX

Alex-ID: agm003514616 · Space group: C2/m (#12)

Basic Information

Formula
Sm8Y2Cd
Alex-ID
agm003514616
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
357.31
ų
Cell a
7.1677
Å
Cell b
8.3217
Å
Cell c
8.3217
Å
α angle
47.83
°
β angle
77.44
°
γ angle
77.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8Y2Cd
Sm
8.00 · 72.7%
Y
2.00 · 18.2%
Cd
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1905
eV/atom
Formation energy
0.1245
eV/atom
Corrected total energy
-50.2681
eV
Raw total energy
-50.2681
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
14.8136
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C8_290_spg12

Decomposition

Y2Cd Sm

Computed at

2022-03-18 13:20:44.428549

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: agm003514616).

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 agm003514616
data_agm003514616
_cell_length_a     7.16767
_cell_length_b     8.32173
_cell_length_c     8.32173
_cell_angle_alpha  47.82582
_cell_angle_beta   77.44164
_cell_angle_gamma  77.44164
_cell_volume       357.30648
_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 0.29794 0.34907 0.81089 1.00000
  Sm2 Sm 0.70206 0.18911 0.65093 1.00000
  Sm3 Sm 0.99193 0.78201 0.78201 1.00000
  Sm4 Sm 0.00807 0.21799 0.21799 1.00000
  Sm5 Sm 0.29794 0.81089 0.34907 1.00000
  Sm6 Sm 0.70206 0.65093 0.18911 1.00000
  Sm7 Sm 0.80553 0.60685 0.60685 1.00000
  Sm8 Sm 0.19447 0.39315 0.39315 1.00000
  Y1 Y 0.43762 0.80662 0.80662 1.00000
  Y2 Y 0.56238 0.19338 0.19338 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Get direct link