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Dy4InCo2

Alexandria ALEX

Alex-ID: agm096085686 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Dy4InCo2
Alex-ID
agm096085686
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
174.72
ų
Cell a
5.1253
Å
Cell b
3.9322
Å
Cell c
8.9938
Å
α angle
90.00
°
β angle
74.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4InCo2
Dy
4.00 · 57.1%
In
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2012
eV/atom
Formation energy
-0.0922
eV/atom
Corrected total energy
-36.0774
eV
Raw total energy
-36.0774
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.8633
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_4558_spg8

Decomposition

Dy12InCo6 Dy11In9Co4 Dy2InCo2

Computed at

2025-04-10 16:35:02

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: agm096085686).

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 agm096085686
data_agm096085686
_cell_length_a     5.12532
_cell_length_b     3.93219
_cell_length_c     8.99381
_cell_angle_alpha  90.00000
_cell_angle_beta   74.55979
_cell_angle_gamma  90.00000
_cell_volume       174.71710
_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 0.09520 0.50000 0.29749 1.00000
  Dy2 Dy 0.31128 0.00000 0.87320 1.00000
  Dy3 Dy 0.68873 0.00000 0.12680 1.00000
  Dy4 Dy 0.90480 0.50000 0.70251 1.00000
  In1 In 0.50000 0.00000 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
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