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Dy2Ho3Tm

Alexandria ALEX

Alex-ID: agm034802600 · Space group: Cmmm (#65)

Basic Information

Formula
Dy2Ho3Tm
Alex-ID
agm034802600
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
184.38
ų
Cell a
7.8704
Å
Cell b
7.8704
Å
Cell c
4.9666
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.18
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho3Tm
Dy
2.00 · 33.3%
Ho
3.00 · 50.0%
Tm
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0260
eV/atom
Formation energy
0.0214
eV/atom
Corrected total energy
-27.2863
eV
Raw total energy
-27.2863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
7.7312
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_27_spg6

Decomposition

Dy5Ho HoTm5 Dy2Ho7

Computed at

2025-04-13 15:50:21

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: agm034802600).

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 agm034802600
data_agm034802600
_cell_length_a     7.87038
_cell_length_b     7.87038
_cell_length_c     4.96658
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.17801
_cell_volume       184.38067
_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 0.33369 0.66631 0.00000 1.00000
  Dy2 Dy 0.66631 0.33369 0.00000 1.00000
  Ho1 Ho 0.83363 0.16637 0.50000 1.00000
  Ho2 Ho 0.50000 0.50000 0.50000 1.00000
  Ho3 Ho 0.16637 0.83363 0.50000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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