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Dy6Tm2In

Alexandria ALEX

Alex-ID: agm005682425 · Space group: C2/c (#15)

Basic Information

Formula
Dy6Tm2In
Alex-ID
agm005682425
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
556.91
ų
Cell a
6.3093
Å
Cell b
9.4165
Å
Cell c
9.4165
Å
α angle
92.50
°
β angle
86.63
°
γ angle
86.63
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Tm2In
Dy
12.00 · 66.7%
Tm
4.00 · 22.2%
In
2.00 · 11.1%

Energy & Stability

Energy above hull
0.1266
eV/atom
Formation energy
0.0082
eV/atom
Corrected total energy
-78.5222
eV
Raw total energy
-78.5222
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
24.2686
Total magnetisation
0.0014
μB

Additional Information

Prototype ID

AB2C6_2214_spg15

Decomposition

Dy5Tm DyTm5 Dy2In

Computed at

2023-07-08 05:52:53.869490

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: agm005682425).

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 agm005682425
data_agm005682425
_cell_length_a     6.30935
_cell_length_b     9.41654
_cell_length_c     9.41654
_cell_angle_alpha  92.50102
_cell_angle_beta   86.63476
_cell_angle_gamma  86.63476
_cell_volume       556.90747
_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 0.92189 0.52931 0.67305 1.00000
  Dy2 Dy 0.57811 0.32695 0.47069 1.00000
  Dy3 Dy 0.07811 0.47069 0.32695 1.00000
  Dy4 Dy 0.42189 0.67305 0.52931 1.00000
  Dy5 Dy 0.90266 0.81294 0.40621 1.00000
  Dy6 Dy 0.59734 0.59379 0.18706 1.00000
  Dy7 Dy 0.09734 0.18706 0.59379 1.00000
  Dy8 Dy 0.40266 0.40621 0.81294 1.00000
  Dy9 Dy 0.07592 0.69313 0.03911 1.00000
  Dy10 Dy 0.42408 0.96089 0.30687 1.00000
  Dy11 Dy 0.92408 0.30687 0.96089 1.00000
  Dy12 Dy 0.57592 0.03911 0.69313 1.00000
  Tm1 Tm 0.55338 0.73793 0.86274 1.00000
  Tm2 Tm 0.94662 0.13726 0.26207 1.00000
  Tm3 Tm 0.44662 0.26207 0.13726 1.00000
  Tm4 Tm 0.05338 0.86274 0.73793 1.00000
  In1 In 0.25000 0.01524 0.98476 1.00000
  In2 In 0.75000 0.98476 0.01524 1.00000
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