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Dy6Tl3Co

Alexandria ALEX

Alex-ID: agm003580686 · Space group: P2_1/c (#14)

Alexandria Database API

Basic Information

Formula
Dy6Tl3Co
Alex-ID
agm003580686
Elements
3
Sites
20
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
563.91
ų
Cell a
6.0434
Å
Cell b
8.8351
Å
Cell c
10.5682
Å
α angle
90.00
°
β angle
87.94
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Tl3Co
Dy
12.00 · 60.0%
Tl
6.00 · 30.0%
Co
2.00 · 10.0%

Energy & Stability

Energy above hull
0.1125
eV/atom
Formation energy
-0.1961
eV/atom
Corrected total energy
-87.6127
eV
Raw total energy
-87.6127
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0125
eV
DOS at Fermi level
21.5539
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C6_295_spg58

Decomposition

Dy5Tl3Co Dy8Tl3Co

Computed at

2022-03-28 22:07:58.362575

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: agm003580686).

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 agm003580686
data_agm003580686
_cell_length_a     6.04336
_cell_length_b     8.83506
_cell_length_c     10.56817
_cell_angle_alpha  90.00000
_cell_angle_beta   87.94093
_cell_angle_gamma  90.00000
_cell_volume       563.90713
_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 0.62131 0.15495 0.94150 1.00000
  Dy2 Dy 0.59009 0.20378 0.56629 1.00000
  Dy3 Dy 0.62746 0.44728 0.27737 1.00000
  Dy4 Dy 0.37254 0.55272 0.72263 1.00000
  Dy5 Dy 0.40991 0.79622 0.43371 1.00000
  Dy6 Dy 0.37869 0.84505 0.05850 1.00000
  Dy7 Dy 0.12131 0.34505 0.44150 1.00000
  Dy8 Dy 0.09009 0.29622 0.06629 1.00000
  Dy9 Dy 0.12746 0.05272 0.77737 1.00000
  Dy10 Dy 0.87254 0.94728 0.22263 1.00000
  Dy11 Dy 0.90991 0.70378 0.93371 1.00000
  Dy12 Dy 0.87869 0.65495 0.55850 1.00000
  Tl1 Tl 0.59148 0.88737 0.73492 1.00000
  Tl2 Tl 0.50000 0.50000 0.00000 1.00000
  Tl3 Tl 0.40852 0.11263 0.26508 1.00000
  Tl4 Tl 0.09148 0.61263 0.23492 1.00000
  Tl5 Tl 0.00000 0.00000 0.50000 1.00000
  Tl6 Tl 0.90852 0.38737 0.76508 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.00000 0.00000 0.00000 1.00000
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