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Dy3Tm3In2Co

Alexandria ALEX

Alex-ID: agm035541908 · Space group: P-62m (#189)

Alexandria Database API

Basic Information

Formula
Dy3Tm3In2Co
Alex-ID
agm035541908
Elements
4
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
238.78
ų
Cell a
8.6420
Å
Cell b
8.6420
Å
Cell c
3.6918
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Tm3In2Co
Dy
3.00 · 33.3%
Tm
3.00 · 33.3%
In
2.00 · 22.2%
Co
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0589
eV/atom
Formation energy
-0.2767
eV/atom
Corrected total energy
-42.3788
eV
Raw total energy
-42.3788
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9568
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB2C3D3_0_spg189

Decomposition

Tm4InCo Tm8In3Co Dy8In3Co

Computed at

2025-01-02 07:57:23

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: agm035541908).

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 agm035541908
data_agm035541908
_cell_length_a     8.64199
_cell_length_b     8.64199
_cell_length_c     3.69176
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       238.77679
_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 0.00000 0.76464 0.50000 1.00000
  Dy2 Dy 0.23536 0.23536 0.50000 1.00000
  Dy3 Dy 0.76464 0.00000 0.50000 1.00000
  Tm1 Tm 0.39393 0.00000 0.00000 1.00000
  Tm2 Tm 0.60607 0.60607 0.00000 1.00000
  Tm3 Tm 0.00000 0.39393 0.00000 1.00000
  In1 In 0.66667 0.33333 0.50000 1.00000
  In2 In 0.33333 0.66667 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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