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Dy3Er8Tm

Alexandria ALEX

Alex-ID: agm017679776 · Space group: Imm2 (#44)

Basic Information

Formula
Dy3Er8Tm
Alex-ID
agm017679776
Elements
3
Sites
12
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
371.37
ų
Cell a
8.3357
Å
Cell b
8.3357
Å
Cell c
10.7630
Å
α angle
49.81
°
β angle
130.19
°
γ angle
136.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Er8Tm
Dy
3.00 · 25.0%
Er
8.00 · 66.7%
Tm
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0076
eV/atom
Formation energy
0.0016
eV/atom
Corrected total energy
-54.7658
eV
Raw total energy
-54.7658
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
20.5609
Total magnetisation
0.0014
μB

Additional Information

Prototype ID

AB3C8_587_spg71

Decomposition

Dy5Er4 DyEr5 Er5Tm

Computed at

2025-01-22 10:46:08

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: agm017679776).

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 agm017679776
data_agm017679776
_cell_length_a     8.33568
_cell_length_b     8.33568
_cell_length_c     10.76299
_cell_angle_alpha  49.81322
_cell_angle_beta   130.18678
_cell_angle_gamma  136.30141
_cell_volume       371.37498
_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 0.25117 0.75016 0.25052 1.00000
  Dy2 Dy 0.75016 0.25117 0.74948 1.00000
  Dy3 Dy 0.66580 0.66580 0.00000 1.00000
  Er1 Er 0.66580 0.66602 0.66640 1.00000
  Er2 Er 0.16655 0.16655 0.16719 1.00000
  Er3 Er 0.66602 0.66580 0.33360 1.00000
  Er4 Er 0.16655 0.16655 0.83281 1.00000
  Er5 Er 0.24991 0.75120 0.91610 1.00000
  Er6 Er 0.25006 0.75126 0.58280 1.00000
  Er7 Er 0.75120 0.24991 0.08390 1.00000
  Er8 Er 0.75126 0.25006 0.41720 1.00000
  Tm1 Tm 0.16569 0.16569 0.50000 1.00000
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