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Dy2Tm(ScCd)2

Alexandria ALEX

Alex-ID: agm024241385 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Dy2Tm(ScCd)2
Alex-ID
agm024241385
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
183.54
ų
Cell a
8.3340
Å
Cell b
8.3340
Å
Cell c
8.3340
Å
α angle
36.52
°
β angle
36.52
°
γ angle
36.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Tm(ScCd)2
Dy
2.00 · 28.6%
Tm
1.00 · 14.3%
Sc
2.00 · 28.6%
Cd
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0268
eV/atom
Formation energy
-0.1564
eV/atom
Corrected total energy
-29.2837
eV
Raw total energy
-29.2837
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.8045
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

DyTmCd DyTmCd2 Dy3Cd2 Sc

Computed at

2025-06-27 07:18:40

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: agm024241385).

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 agm024241385
data_agm024241385
_cell_length_a     8.33396
_cell_length_b     8.33396
_cell_length_c     8.33396
_cell_angle_alpha  36.52198
_cell_angle_beta   36.52198
_cell_angle_gamma  36.52198
_cell_volume       183.53732
_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
  Dy1 Dy 0.42709 0.42709 0.42709 1.00000
  Dy2 Dy 0.57291 0.57291 0.57291 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Sc1 Sc 0.84266 0.84266 0.84266 1.00000
  Sc2 Sc 0.15734 0.15734 0.15734 1.00000
  Cd1 Cd 0.28581 0.28581 0.28581 1.00000
  Cd2 Cd 0.71419 0.71419 0.71419 1.00000
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