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Dy4TmIn5

Alexandria ALEX

Alex-ID: agm003650366 · Space group: P4/mmm (#123)

Basic Information

Formula
Dy4TmIn5
Alex-ID
agm003650366
Elements
3
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
264.13
ų
Cell a
3.7315
Å
Cell b
3.7315
Å
Cell c
18.9694
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4TmIn5
Dy
4.00 · 40.0%
Tm
1.00 · 10.0%
In
5.00 · 50.0%

Energy & Stability

Energy above hull
0.0019
eV/atom
Formation energy
-0.4409
eV/atom
Corrected total energy
-41.1436
eV
Raw total energy
-41.1436
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9819
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_22_spg123

Decomposition

Dy2TmIn3 DyIn

Computed at

2022-04-26 05:47:18.027963

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: agm003650366).

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 agm003650366
data_agm003650366
_cell_length_a     3.73149
_cell_length_b     3.73149
_cell_length_c     18.96936
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       264.12897
_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 0.00000 0.19798 1.00000
  Dy2 Dy 0.00000 0.00000 0.39932 1.00000
  Dy3 Dy 0.00000 0.00000 0.60068 1.00000
  Dy4 Dy 0.00000 0.00000 0.80202 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  In1 In 0.50000 0.50000 0.09711 1.00000
  In2 In 0.50000 0.50000 0.29860 1.00000
  In3 In 0.50000 0.50000 0.50000 1.00000
  In4 In 0.50000 0.50000 0.70140 1.00000
  In5 In 0.50000 0.50000 0.90289 1.00000
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