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Dy3Tm8

Alexandria ALEX

Alex-ID: agm003291908 · Space group: R-3 (#148)

Basic Information

Formula
Dy3Tm8
Alex-ID
agm003291908
Elements
2
Sites
11
Space group
R-3 (#148)
Crystal system
trigonal
Volume
384.61
ų
Cell a
7.6630
Å
Cell b
7.6630
Å
Cell c
7.6630
Å
α angle
70.07
°
β angle
70.07
°
γ angle
70.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Tm8
Dy
3.00 · 27.3%
Tm
8.00 · 72.7%

Energy & Stability

Energy above hull
0.6029
eV/atom
Formation energy
0.5955
eV/atom
Corrected total energy
-43.0330
eV
Raw total energy
-43.0330
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.5815
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_72_spg148

Decomposition

Dy5Tm DyTm5

Computed at

2022-01-16 23:37:04.788154

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: agm003291908).

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 agm003291908
data_agm003291908
_cell_length_a     7.66303
_cell_length_b     7.66303
_cell_length_c     7.66303
_cell_angle_alpha  70.06575
_cell_angle_beta   70.06575
_cell_angle_gamma  70.06575
_cell_volume       384.61308
_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 0.50000 0.00000 0.50000 1.00000
  Dy2 Dy 0.00000 0.50000 0.50000 1.00000
  Dy3 Dy 0.50000 0.50000 0.00000 1.00000
  Tm1 Tm 0.87097 0.29301 0.21505 1.00000
  Tm2 Tm 0.29301 0.21505 0.87097 1.00000
  Tm3 Tm 0.21505 0.87097 0.29301 1.00000
  Tm4 Tm 0.42076 0.42076 0.42076 1.00000
  Tm5 Tm 0.57924 0.57924 0.57924 1.00000
  Tm6 Tm 0.78495 0.12903 0.70699 1.00000
  Tm7 Tm 0.70699 0.78495 0.12903 1.00000
  Tm8 Tm 0.12903 0.70699 0.78495 1.00000
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