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Dy2CdIn2

Alexandria ALEX

Alex-ID: agm002331990 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Dy2CdIn2
Alex-ID
agm002331990
Elements
3
Sites
10
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
265.32
ų
Cell a
4.7606
Å
Cell b
7.4654
Å
Cell c
7.4653
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CdIn2
Cd
2.00 · 20.0%
In
4.00 · 40.0%
Dy
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0372
eV/atom
Formation energy
-0.3746
eV/atom
Corrected total energy
-35.0871
eV
Raw total energy
-35.0871
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0402
eV
DOS at Fermi level
4.7633
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

AB2C2_3_spg127

Decomposition

DyCdIn DyIn

Computed at

2019-02-10 12:11:55

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: agm002331990).

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 agm002331990
data_agm002331990
_cell_length_a     4.76061
_cell_length_b     7.46535
_cell_length_c     7.46534
_cell_angle_alpha  90.00021
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       265.31524
_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
  Cd1 Cd 0.00000 0.50000 0.50000 1.00000
  Cd2 Cd 0.00000 0.99999 0.99999 1.00000
  In1 In 0.00000 0.86273 0.63726 1.00000
  In2 In 0.00000 0.63727 0.13727 1.00000
  In3 In 0.00000 0.36274 0.86274 1.00000
  In4 In 0.00000 0.13726 0.36273 1.00000
  Dy1 Dy 0.50000 0.33308 0.16693 1.00000
  Dy2 Dy 0.50000 0.83308 0.33308 1.00000
  Dy3 Dy 0.50000 0.66693 0.83308 1.00000
  Dy4 Dy 0.50000 0.16692 0.66693 1.00000
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