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Dy2Tm3Pt4

Alexandria ALEX

Alex-ID: agm005678612 · Space group: P2_1/c (#14)

Basic Information

Formula
Dy2Tm3Pt4
Alex-ID
agm005678612
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
408.43
ų
Cell a
7.4833
Å
Cell b
7.5950
Å
Cell c
7.6447
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Tm3Pt4
Dy
4.00 · 22.2%
Tm
6.00 · 33.3%
Pt
8.00 · 44.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.1999
eV/atom
Corrected total energy
-115.5471
eV
Raw total energy
-115.5471
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.8277
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_763_spg14

Decomposition

Dy2Tm3Pt4

Computed at

2023-06-26 23:56:55.252019

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: agm005678612).

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 agm005678612
data_agm005678612
_cell_length_a     7.48328
_cell_length_b     7.59496
_cell_length_c     7.64469
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.94457
_cell_volume       408.42820
_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 0.57144 0.19295 0.32099 1.00000
  Dy2 Dy 0.92856 0.80705 0.82099 1.00000
  Dy3 Dy 0.42856 0.80705 0.67901 1.00000
  Dy4 Dy 0.07144 0.19295 0.17901 1.00000
  Tm1 Tm 0.00000 0.50000 0.50000 1.00000
  Tm2 Tm 0.50000 0.50000 0.00000 1.00000
  Tm3 Tm 0.74581 0.24440 0.83376 1.00000
  Tm4 Tm 0.75419 0.75560 0.33376 1.00000
  Tm5 Tm 0.25419 0.75560 0.16624 1.00000
  Tm6 Tm 0.24581 0.24440 0.66624 1.00000
  Pt1 Pt 0.84975 0.08600 0.53616 1.00000
  Pt2 Pt 0.65025 0.91400 0.03616 1.00000
  Pt3 Pt 0.15025 0.91400 0.46384 1.00000
  Pt4 Pt 0.34975 0.08600 0.96384 1.00000
  Pt5 Pt 0.86703 0.48966 0.13626 1.00000
  Pt6 Pt 0.63297 0.51034 0.63626 1.00000
  Pt7 Pt 0.13297 0.51034 0.86374 1.00000
  Pt8 Pt 0.36703 0.48966 0.36374 1.00000
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