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Dy8InCo2

Alexandria ALEX

Alex-ID: agm003536282 · Space group: C2/m (#12)

Basic Information

Formula
Dy8InCo2
Alex-ID
agm003536282
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
292.81
ų
Cell a
5.2749
Å
Cell b
7.8829
Å
Cell c
7.8829
Å
α angle
113.47
°
β angle
97.16
°
γ angle
97.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8InCo2
Dy
8.00 · 72.7%
In
1.00 · 9.1%
Co
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1074
eV/atom
Formation energy
-0.1199
eV/atom
Corrected total energy
-55.1666
eV
Raw total energy
-55.1666
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8494
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

Dy14(InCo)3 Dy3Co Dy

Computed at

2022-03-14 10:30:28.835311

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: agm003536282).

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 agm003536282
data_agm003536282
_cell_length_a     5.27493
_cell_length_b     7.88288
_cell_length_c     7.88288
_cell_angle_alpha  113.46731
_cell_angle_beta   97.15855
_cell_angle_gamma  97.15855
_cell_volume       292.80927
_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 0.92992 0.93255 0.67051 1.00000
  Dy2 Dy 0.92992 0.67051 0.93255 1.00000
  Dy3 Dy 0.30074 0.61178 0.61178 1.00000
  Dy4 Dy 0.50000 0.74841 0.25159 1.00000
  Dy5 Dy 0.50000 0.25159 0.74841 1.00000
  Dy6 Dy 0.69926 0.38822 0.38822 1.00000
  Dy7 Dy 0.07008 0.32949 0.06745 1.00000
  Dy8 Dy 0.07008 0.06745 0.32949 1.00000
  In1 In 0.50000 0.00000 0.00000 1.00000
  Co1 Co 0.00000 0.30756 0.69244 1.00000
  Co2 Co 0.00000 0.69244 0.30756 1.00000
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