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Dy2Ho5Tm4

Alexandria ALEX

Alex-ID: agm005651429 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Ho5Tm4
Alex-ID
agm005651429
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
341.57
ų
Cell a
5.5760
Å
Cell b
9.1943
Å
Cell c
24.1227
Å
α angle
162.58
°
β angle
96.64
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho5Tm4
Dy
2.00 · 18.2%
Ho
5.00 · 45.5%
Tm
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1072
eV/atom
Formation energy
0.1010
eV/atom
Corrected total energy
-48.8752
eV
Raw total energy
-48.8752
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.1937
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_293_spg12

Decomposition

Dy5Ho HoTm5 Dy2Ho7

Computed at

2023-06-21 13:39:05.159716

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: agm005651429).

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 agm005651429
data_agm005651429
_cell_length_a     5.57604
_cell_length_b     9.19429
_cell_length_c     24.12267
_cell_angle_alpha  162.57857
_cell_angle_beta   96.63688
_cell_angle_gamma  90.00000
_cell_volume       341.56813
_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 0.41096 0.21575 0.82191 1.00000
  Dy2 Dy 0.58904 0.78425 0.17809 1.00000
  Ho1 Ho 0.84131 0.11039 0.68261 1.00000
  Ho2 Ho 0.15869 0.88961 0.31739 1.00000
  Ho3 Ho 0.78902 0.48206 0.57804 1.00000
  Ho4 Ho 0.50000 0.00000 0.00000 1.00000
  Ho5 Ho 0.21098 0.51794 0.42196 1.00000
  Tm1 Tm 0.31465 0.37596 0.62930 1.00000
  Tm2 Tm 0.94846 0.99042 0.89693 1.00000
  Tm3 Tm 0.68535 0.62404 0.37070 1.00000
  Tm4 Tm 0.05154 0.00958 0.10307 1.00000
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