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Dy5TmTl2In

Alexandria ALEX

Alex-ID: agm005176935 · Space group: I4/mcm (#140)

Basic Information

Formula
Dy5TmTl2In
Alex-ID
agm005176935
Elements
4
Sites
18
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
533.85
ų
Cell a
7.8257
Å
Cell b
7.8257
Å
Cell c
10.3251
Å
α angle
112.27
°
β angle
112.27
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5TmTl2In
Dy
10.00 · 55.6%
Tm
2.00 · 11.1%
Tl
4.00 · 22.2%
In
2.00 · 11.1%

Energy & Stability

Energy above hull
0.2856
eV/atom
Formation energy
-0.0104
eV/atom
Corrected total energy
-70.1722
eV
Raw total energy
-70.1722
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.1687
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D5_205_spg140

Decomposition

Dy9Tl4 Dy2In DyTm5 Dy3Tm2Tl3

Computed at

2023-01-07 22:54:46.578101

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: agm005176935).

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 agm005176935
data_agm005176935
_cell_length_a     7.82574
_cell_length_b     7.82574
_cell_length_c     10.32506
_cell_angle_alpha  112.26978
_cell_angle_beta   112.26978
_cell_angle_gamma  90.00000
_cell_volume       533.84674
_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 0.92366 0.42366 0.27237 1.00000
  Dy2 Dy 0.65129 0.15129 0.72763 1.00000
  Dy3 Dy 0.07634 0.57634 0.72763 1.00000
  Dy4 Dy 0.15129 0.07634 0.72763 1.00000
  Dy5 Dy 0.57634 0.65129 0.72763 1.00000
  Dy6 Dy 0.84871 0.92366 0.27237 1.00000
  Dy7 Dy 0.42366 0.34871 0.27237 1.00000
  Dy8 Dy 0.34871 0.84871 0.27237 1.00000
  Dy9 Dy 0.50000 0.50000 0.00000 1.00000
  Dy10 Dy 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.25000 0.75000 0.50000 1.00000
  Tm2 Tm 0.75000 0.25000 0.50000 1.00000
  Tl1 Tl 0.12481 0.37519 0.00000 1.00000
  Tl2 Tl 0.62481 0.12481 1.00000 1.00000
  Tl3 Tl 0.37519 0.87519 0.00000 1.00000
  Tl4 Tl 0.87519 0.62481 0.00000 1.00000
  In1 In 0.25000 0.25000 0.50000 1.00000
  In2 In 0.75000 0.75000 0.50000 1.00000
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