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Dy4Ho4Tm3

Alexandria ALEX

Alex-ID: agm009384089 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Ho4Tm3
Alex-ID
agm009384089
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
336.98
ų
Cell a
6.0826
Å
Cell b
6.0826
Å
Cell c
16.4736
Å
α angle
90.07
°
β angle
90.07
°
γ angle
33.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Ho4Tm3
Dy
4.00 · 36.4%
Ho
4.00 · 36.4%
Tm
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0265
eV/atom
Formation energy
0.0210
eV/atom
Corrected total energy
-49.9122
eV
Raw total energy
-49.9122
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.7138
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_107_spg2

Decomposition

Dy5Ho HoTm5 Dy2Ho7

Computed at

2024-05-11 05:11:02.101112

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: agm009384089).

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 agm009384089
data_agm009384089
_cell_length_a     6.08264
_cell_length_b     6.08264
_cell_length_c     16.47357
_cell_angle_alpha  90.06803
_cell_angle_beta   90.06803
_cell_angle_gamma  33.56523
_cell_volume       336.98226
_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 0.54563 0.54563 0.18129 1.00000
  Dy2 Dy 0.63615 0.63615 0.54580 1.00000
  Dy3 Dy 0.36385 0.36385 0.45420 1.00000
  Dy4 Dy 0.45437 0.45437 0.81871 1.00000
  Ho1 Ho 0.27323 0.27323 0.09075 1.00000
  Ho2 Ho 0.72677 0.72677 0.90925 1.00000
  Ho3 Ho 0.90848 0.90848 0.63700 1.00000
  Ho4 Ho 0.09152 0.09152 0.36300 1.00000
  Tm1 Tm 0.81847 0.81847 0.27190 1.00000
  Tm2 Tm 0.18153 0.18153 0.72810 1.00000
  Tm3 Tm 0.00000 0.00000 0.00000 1.00000
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