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Dy5Tm2

Alexandria ALEX

Alex-ID: agm009587372 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Tm2
Alex-ID
agm009587372
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
215.80
ų
Cell a
6.0833
Å
Cell b
6.0833
Å
Cell c
10.5796
Å
α angle
84.36
°
β angle
95.64
°
γ angle
146.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Tm2
Dy
5.00 · 71.4%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0294
eV/atom
Formation energy
0.0255
eV/atom
Corrected total energy
-31.7834
eV
Raw total energy
-31.7834
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6961
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_234_spg12

Decomposition

Dy5Tm DyTm5

Computed at

2025-05-02 06:23:48

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: agm009587372).

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 agm009587372
data_agm009587372
_cell_length_a     6.08327
_cell_length_b     6.08327
_cell_length_c     10.57955
_cell_angle_alpha  84.36035
_cell_angle_beta   95.63965
_cell_angle_gamma  146.34977
_cell_volume       215.79728
_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 0.14279 0.85721 0.07192 1.00000
  Dy3 Dy 0.85721 0.14279 0.92808 1.00000
  Dy4 Dy 0.42841 0.57159 0.21541 1.00000
  Dy5 Dy 0.57159 0.42841 0.78459 1.00000
  Tm1 Tm 0.71424 0.28576 0.35823 1.00000
  Tm2 Tm 0.28576 0.71424 0.64177 1.00000
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