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Dy3Tm5Os

Alexandria ALEX

Alex-ID: agm072709730 · Space group: P1 (#1)

Basic Information

Formula
Dy3Tm5Os
Alex-ID
agm072709730
Elements
3
Sites
9
Space group
P1 (#1)
Crystal system
triclinic
Volume
260.45
ų
Cell a
6.3418
Å
Cell b
6.3841
Å
Cell c
6.9088
Å
α angle
74.81
°
β angle
74.76
°
γ angle
86.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Tm5Os
Dy
3.00 · 33.3%
Tm
5.00 · 55.6%
Os
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0940
eV/atom
Formation energy
-0.0479
eV/atom
Corrected total energy
-47.8298
eV
Raw total energy
-47.8298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0598
eV
DOS at Fermi level
10.8632
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_332_spg6

Decomposition

Dy5Tm DyTm5 Tm3Os

Computed at

2024-09-24 06:20:56.316265

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: agm072709730).

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 agm072709730
data_agm072709730
_cell_length_a     6.34177
_cell_length_b     6.38415
_cell_length_c     6.90880
_cell_angle_alpha  74.80908
_cell_angle_beta   74.76331
_cell_angle_gamma  86.13476
_cell_volume       260.45215
_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 0.41247 0.45482 0.00180 1.00000
  Dy2 Dy 0.40790 0.44041 0.50876 1.00000
  Dy3 Dy 0.54823 0.92189 0.60279 1.00000
  Tm1 Tm 0.55959 0.93562 0.09453 1.00000
  Tm2 Tm 0.03063 0.76954 0.77769 1.00000
  Tm3 Tm 0.89767 0.29925 0.17254 1.00000
  Tm4 Tm 0.88655 0.28877 0.68220 1.00000
  Tm5 Tm 0.03691 0.78167 0.26858 1.00000
  Os1 Os 0.22008 0.10799 0.89112 1.00000
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