Navigation

HEAS Data Platform · Materials Science Database

CeSm2(DyRh)2

Alexandria ALEX

Alex-ID: agm017231886 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
CeSm2(DyRh)2
Alex-ID
agm017231886
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
183.85
ų
Cell a
6.4132
Å
Cell b
6.4132
Å
Cell c
8.8983
Å
α angle
63.60
°
β angle
116.40
°
γ angle
145.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeSm2(DyRh)2
Ce
1.00 · 14.3%
Sm
2.00 · 28.6%
Dy
2.00 · 28.6%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0314
eV/atom
Formation energy
-0.5187
eV/atom
Corrected total energy
-42.9225
eV
Raw total energy
-42.9225
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
11.1417
Total magnetisation
0.2419
μB

Additional Information

Prototype ID

AB2C2D2_491_spg2

Decomposition

Sm5Rh2 Dy5Rh3 Ce

Computed at

2025-06-27 05:31:05

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: agm017231886).

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 agm017231886
data_agm017231886
_cell_length_a     6.41320
_cell_length_b     6.41320
_cell_length_c     8.89831
_cell_angle_alpha  63.60093
_cell_angle_beta   116.39907
_cell_angle_gamma  145.41408
_cell_volume       183.84580
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Sm1 Sm 0.34237 0.65763 0.18901 1.00000
  Sm2 Sm 0.65763 0.34237 0.81099 1.00000
  Dy1 Dy 0.12093 0.87907 0.44390 1.00000
  Dy2 Dy 0.87907 0.12093 0.55610 1.00000
  Rh1 Rh 0.65922 0.34078 0.22663 1.00000
  Rh2 Rh 0.34078 0.65922 0.77337 1.00000
Get direct link