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Dy2TmSn2

Alexandria ALEX

Alex-ID: agm003393530 · Space group: Cmc2_1 (#36)

Basic Information

Formula
Dy2TmSn2
Alex-ID
agm003393530
Elements
3
Sites
10
Space group
Cmc2_1 (#36)
Crystal system
orthorhombic
Volume
274.95
ų
Cell a
4.5250
Å
Cell b
6.6461
Å
Cell c
9.4183
Å
α angle
90.00
°
β angle
103.90
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2TmSn2
Dy
4.00 · 40.0%
Tm
2.00 · 20.0%
Sn
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1451
eV/atom
Formation energy
-0.5833
eV/atom
Corrected total energy
-49.2026
eV
Raw total energy
-49.2026
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9135
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_83_spg36

Decomposition

Dy2Tm3Sn4 Dy5Sn4 Dy3Tm2Sn3

Computed at

2022-02-11 23:52:07.127589

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: agm003393530).

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 agm003393530
data_agm003393530
_cell_length_a     4.52502
_cell_length_b     6.64613
_cell_length_c     9.41830
_cell_angle_alpha  90.00000
_cell_angle_beta   103.89981
_cell_angle_gamma  90.00000
_cell_volume       274.95060
_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 0.40739 0.56915 0.81477 1.00000
  Dy2 Dy 0.79163 0.82704 0.58326 1.00000
  Dy3 Dy 0.20837 0.32704 0.41674 1.00000
  Dy4 Dy 0.59261 0.06915 0.18523 1.00000
  Tm1 Tm 0.40628 0.08452 0.81256 1.00000
  Tm2 Tm 0.59372 0.58452 0.18744 1.00000
  Sn1 Sn 0.98845 0.82936 0.97689 1.00000
  Sn2 Sn 0.82057 0.32430 0.64114 1.00000
  Sn3 Sn 0.17943 0.82430 0.35886 1.00000
  Sn4 Sn 0.01155 0.32936 0.02311 1.00000
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