Navigation

HEAS Data Platform · Materials Science Database

Dy(Tm2Pt)2

Alexandria ALEX

Alex-ID: agm006069062 · Space group: P2_1/m (#11)

Basic Information

Formula
Dy(Tm2Pt)2
Alex-ID
agm006069062
Elements
3
Sites
14
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
357.48
ų
Cell a
6.2885
Å
Cell b
7.7186
Å
Cell c
7.9727
Å
α angle
112.52
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(Tm2Pt)2
Tm
8.00 · 57.1%
Pt
4.00 · 28.6%
Dy
2.00 · 14.3%

Energy & Stability

Energy above hull
0.1263
eV/atom
Formation energy
-0.7210
eV/atom
Corrected total energy
-79.4261
eV
Raw total energy
-79.4261
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0078
eV
DOS at Fermi level
16.2247
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

AB2C4_928_spg11

Decomposition

Tm2Pt Dy

Computed at

2023-09-17 12:32:30

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: agm006069062).

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 agm006069062
data_agm006069062
_cell_length_a     6.28848
_cell_length_b     7.71858
_cell_length_c     7.97267
_cell_angle_alpha  112.51540
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       357.48144
_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
  Tm1 Tm 0.50393 0.40989 0.76775 1.00000
  Tm2 Tm 0.25000 0.24997 0.34566 1.00000
  Tm3 Tm 0.75000 0.75003 0.65434 1.00000
  Tm4 Tm 0.99607 0.40989 0.76775 1.00000
  Tm5 Tm 0.75000 0.01687 0.38803 1.00000
  Tm6 Tm 0.00393 0.59011 0.23225 1.00000
  Tm7 Tm 0.49607 0.59011 0.23225 1.00000
  Tm8 Tm 0.25000 0.98313 0.61197 1.00000
  Pt1 Pt 0.25000 0.24981 0.99044 1.00000
  Pt2 Pt 0.75000 0.75019 0.00956 1.00000
  Pt3 Pt 0.75000 0.37790 0.41461 1.00000
  Pt4 Pt 0.25000 0.62210 0.58539 1.00000
  Dy1 Dy 0.25000 0.84727 0.97561 1.00000
  Dy2 Dy 0.75000 0.15273 0.02439 1.00000
Get direct link