Navigation

HEAS Data Platform · Materials Science Database

Dy2CoSn

Alexandria ALEX

Alex-ID: agm003619085 · Space group: Cmce (#64)

Basic Information

Formula
Dy2CoSn
Alex-ID
agm003619085
Elements
3
Sites
16
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
389.35
ų
Cell a
6.0823
Å
Cell b
8.0706
Å
Cell c
8.8994
Å
α angle
116.97
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2CoSn
Dy
8.00 · 50.0%
Co
4.00 · 25.0%
Sn
4.00 · 25.0%

Energy & Stability

Energy above hull
0.2990
eV/atom
Formation energy
-0.2391
eV/atom
Corrected total energy
-85.1622
eV
Raw total energy
-85.1622
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0118
eV
DOS at Fermi level
19.5806
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

ABC2_7271_spg14

Decomposition

DyCo3 Dy5Sn3

Computed at

2022-04-14 08:25:23.179413

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: agm003619085).

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 agm003619085
data_agm003619085
_cell_length_a     6.08233
_cell_length_b     8.07056
_cell_length_c     8.89942
_cell_angle_alpha  116.96709
_cell_angle_beta   90.00054
_cell_angle_gamma  90.00016
_cell_volume       389.35271
_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 0.75002 0.07555 0.15096 1.00000
  Dy2 Dy 0.25004 0.42444 0.84904 1.00000
  Dy3 Dy 0.24998 0.92445 0.84904 1.00000
  Dy4 Dy 0.74996 0.57556 0.15096 1.00000
  Dy5 Dy 0.73994 0.62604 0.75209 1.00000
  Dy6 Dy 0.23993 0.87397 0.24792 1.00000
  Dy7 Dy 0.26006 0.37396 0.24791 1.00000
  Dy8 Dy 0.76007 0.12603 0.75208 1.00000
  Co1 Co 0.70439 0.44716 0.39435 1.00000
  Co2 Co 0.20440 0.05284 0.60565 1.00000
  Co3 Co 0.29561 0.55284 0.60565 1.00000
  Co4 Co 0.79560 0.94716 0.39435 1.00000
  Sn1 Sn 0.50002 0.22890 0.49999 1.00000
  Sn2 Sn 0.00002 0.27109 0.50001 1.00000
  Sn3 Sn 0.49998 0.77110 0.50001 1.00000
  Sn4 Sn 0.99998 0.72891 0.49999 1.00000
Get direct link