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Dy4ErTm2

Alexandria ALEX

Alex-ID: agm017622975 · Space group: C2/m (#12)

Basic Information

Formula
Dy4ErTm2
Alex-ID
agm017622975
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
214.66
ų
Cell a
7.8595
Å
Cell b
7.8595
Å
Cell c
8.6152
Å
α angle
68.64
°
β angle
111.36
°
γ angle
154.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4ErTm2
Dy
4.00 · 57.1%
Er
1.00 · 14.3%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0284
eV/atom
Formation energy
0.0232
eV/atom
Corrected total energy
-31.7585
eV
Raw total energy
-31.7585
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7298
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_234_spg8

Decomposition

Dy7Er2 ErTm5 Dy5Tm

Computed at

2025-06-11 23:18:22

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: agm017622975).

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 agm017622975
data_agm017622975
_cell_length_a     7.85946
_cell_length_b     7.85946
_cell_length_c     8.61525
_cell_angle_alpha  68.64307
_cell_angle_beta   111.35693
_cell_angle_gamma  154.22455
_cell_volume       214.65762
_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 0.57214 0.42786 0.71574 1.00000
  Dy2 Dy 0.42786 0.57214 0.28426 1.00000
  Dy3 Dy 0.85701 0.14299 0.57197 1.00000
  Dy4 Dy 0.14299 0.85701 0.42803 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.71397 0.28603 0.14166 1.00000
  Tm2 Tm 0.28603 0.71397 0.85834 1.00000
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