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Dy3Cd2InAg3

Alexandria ALEX

Alex-ID: agm038352154 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Dy3Cd2InAg3
Alex-ID
agm038352154
Elements
4
Sites
9
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
209.68
ų
Cell a
7.9393
Å
Cell b
7.9393
Å
Cell c
3.8384
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Cd2InAg3
Dy
3.00 · 33.3%
Cd
2.00 · 22.2%
In
1.00 · 11.1%
Ag
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3504
eV/atom
Corrected total energy
-30.1351
eV
Raw total energy
-30.1351
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1110
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D3_28_spg189

Decomposition

Dy3Cd2InAg3

Computed at

2024-12-25 15:38:07

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: agm038352154).

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 agm038352154
data_agm038352154
_cell_length_a     7.93929
_cell_length_b     7.93929
_cell_length_c     3.83841
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.92998
_cell_volume       209.67707
_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 0.60326 0.60326 0.00000 1.00000
  Dy2 Dy 0.99637 0.40278 0.00000 1.00000
  Dy3 Dy 0.40278 0.99637 0.00000 1.00000
  Cd1 Cd 0.00084 0.73230 0.50000 1.00000
  Cd2 Cd 0.73230 0.00084 0.50000 1.00000
  In1 In 0.26587 0.26587 0.50000 1.00000
  Ag1 Ag 0.66458 0.33315 0.50000 1.00000
  Ag2 Ag 0.33315 0.66458 0.50000 1.00000
  Ag3 Ag 0.00079 0.00079 0.00000 1.00000
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