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Dy12InCo5

Alexandria ALEX

Alex-ID: agm006084530 · Space group: Immm (#71)

Basic Information

Formula
Dy12InCo5
Alex-ID
agm006084530
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
436.16
ų
Cell a
8.2781
Å
Cell b
8.2781
Å
Cell c
8.2781
Å
α angle
107.17
°
β angle
110.68
°
γ angle
110.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy12InCo5
Dy
12.00 · 66.7%
In
1.00 · 5.6%
Co
5.00 · 27.8%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2347
eV/atom
Corrected total energy
-97.8583
eV
Raw total energy
-97.8583
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0087
eV
DOS at Fermi level
14.3562
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

AB5C12_7_spg71

Decomposition

Dy12InCo5

Computed at

2023-08-10 12:04:48.947948

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: agm006084530).

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 agm006084530
data_agm006084530
_cell_length_a     8.27808
_cell_length_b     8.27808
_cell_length_c     8.27808
_cell_angle_alpha  107.16917
_cell_angle_beta   110.67934
_cell_angle_gamma  110.58941
_cell_volume       436.15675
_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 0.52102 0.81407 0.70696 1.00000
  Dy2 Dy 0.47898 0.18593 0.29304 1.00000
  Dy3 Dy 0.89289 0.18593 0.70696 1.00000
  Dy4 Dy 0.10711 0.81407 0.29304 1.00000
  Dy5 Dy 0.69498 0.68547 0.38045 1.00000
  Dy6 Dy 0.30502 0.31453 0.61955 1.00000
  Dy7 Dy 0.30502 0.68547 0.99049 1.00000
  Dy8 Dy 0.69498 0.31453 0.00951 1.00000
  Dy9 Dy 0.80787 0.59997 0.79210 1.00000
  Dy10 Dy 0.19213 0.40003 0.20790 1.00000
  Dy11 Dy 0.19213 0.98424 0.79210 1.00000
  Dy12 Dy 0.80787 0.01576 0.20790 1.00000
  In1 In 0.00000 0.50000 0.50000 1.00000
  Co1 Co 0.62131 0.62131 1.00000 1.00000
  Co2 Co 0.37869 0.37869 0.00000 1.00000
  Co3 Co 0.50000 0.11258 0.61258 1.00000
  Co4 Co 0.50000 0.88742 0.38742 1.00000
  Co5 Co 0.00000 0.00000 0.00000 1.00000
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