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Dy2TmIn3

Alexandria ALEX

Alex-ID: agm017679241 · Space group: Imma (#74)

Basic Information

Formula
Dy2TmIn3
Alex-ID
agm017679241
Elements
3
Sites
12
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
315.45
ų
Cell a
9.2090
Å
Cell b
9.2090
Å
Cell c
9.2090
Å
α angle
146.38
°
β angle
132.61
°
γ angle
59.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2TmIn3
Dy
4.00 · 33.3%
Tm
2.00 · 16.7%
In
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0050
eV/atom
Formation energy
-0.4330
eV/atom
Corrected total energy
-49.1713
eV
Raw total energy
-49.1713
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
7.3620
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_4613_spg9

Decomposition

Dy2TmIn3

Computed at

2024-11-15 01:03:34.098066

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: agm017679241).

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 agm017679241
data_agm017679241
_cell_length_a     9.20896
_cell_length_b     9.20896
_cell_length_c     9.20896
_cell_angle_alpha  146.37784
_cell_angle_beta   132.61075
_cell_angle_gamma  59.35474
_cell_volume       315.44659
_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 0.58300 0.83300 0.75000 1.00000
  Dy2 Dy 0.25116 0.50116 0.75000 1.00000
  Dy3 Dy 0.41700 0.16700 0.25000 1.00000
  Dy4 Dy 0.74884 0.49884 0.25000 1.00000
  Tm1 Tm 0.91569 0.16569 0.75000 1.00000
  Tm2 Tm 0.08431 0.83431 0.25000 1.00000
  In1 In 0.32751 0.33239 0.99512 1.00000
  In2 In 0.16273 0.66761 0.49512 1.00000
  In3 In 0.00000 0.00000 0.00000 1.00000
  In4 In 0.67249 0.66761 0.00488 1.00000
  In5 In 0.50000 0.00000 0.50000 1.00000
  In6 In 0.83727 0.33239 0.50488 1.00000
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