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Dy5Th

Alexandria ALEX

Alex-ID: agm010193390 · Space group: P2/m (#10)

Basic Information

Formula
Dy5Th
Alex-ID
agm010193390
Elements
2
Sites
6
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
189.46
ų
Cell a
6.1237
Å
Cell b
3.5616
Å
Cell c
8.6869
Å
α angle
90.00
°
β angle
89.97
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Th
Dy
5.00 · 83.3%
Th
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0297
eV/atom
Formation energy
0.0246
eV/atom
Corrected total energy
-30.2933
eV
Raw total energy
-30.2933
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4210
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_99_spg65

Decomposition

Dy2Th Dy

Computed at

2025-04-16 14:16:55

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: agm010193390).

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 agm010193390
data_agm010193390
_cell_length_a     6.12372
_cell_length_b     3.56156
_cell_length_c     8.68692
_cell_angle_alpha  90.00000
_cell_angle_beta   89.97094
_cell_angle_gamma  90.00000
_cell_volume       189.46149
_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 0.00000 0.00000 0.50000 1.00000
  Dy2 Dy 0.33863 0.00000 0.82942 1.00000
  Dy3 Dy 0.16811 0.50000 0.16697 1.00000
  Dy4 Dy 0.83189 0.50000 0.83303 1.00000
  Dy5 Dy 0.66137 0.00000 0.17058 1.00000
  Th1 Th 0.50000 0.50000 0.50000 1.00000
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