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Dy8HoTm3

Alexandria ALEX

Alex-ID: agm005961735 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy8HoTm3
Alex-ID
agm005961735
Elements
3
Sites
12
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
441.13
ų
Cell a
7.6139
Å
Cell b
7.6139
Å
Cell c
9.3215
Å
α angle
114.10
°
β angle
114.10
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8HoTm3
Dy
8.00 · 66.7%
Ho
1.00 · 8.3%
Tm
3.00 · 25.0%

Energy & Stability

Energy above hull
0.7248
eV/atom
Formation energy
0.7204
eV/atom
Corrected total energy
-46.1785
eV
Raw total energy
-46.1785
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.0487
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_9_spg139

Decomposition

Dy5Tm Dy5Ho DyTm5

Computed at

2023-09-08 00:47:27.762601

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: agm005961735).

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 agm005961735
data_agm005961735
_cell_length_a     7.61389
_cell_length_b     7.61389
_cell_length_c     9.32149
_cell_angle_alpha  114.10468
_cell_angle_beta   114.10468
_cell_angle_gamma  90.00000
_cell_volume       441.13277
_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 0.87485 0.37536 0.25020 1.00000
  Dy2 Dy 0.37536 0.37536 0.25020 1.00000
  Dy3 Dy 0.12515 0.12515 0.74980 1.00000
  Dy4 Dy 0.62464 0.12515 0.74980 1.00000
  Dy5 Dy 0.37536 0.87485 0.25020 1.00000
  Dy6 Dy 0.87485 0.87485 0.25020 1.00000
  Dy7 Dy 0.62464 0.62464 0.74980 1.00000
  Dy8 Dy 0.12515 0.62464 0.74980 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.25000 0.75000 0.50000 1.00000
  Tm2 Tm 0.50000 0.50000 0.00000 1.00000
  Tm3 Tm 0.75000 0.25000 0.50000 1.00000
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