Navigation

HEAS Data Platform · Materials Science Database

Dy8Er3Tm

Alexandria ALEX

Alex-ID: agm017337067 · Space group: Pm (#6)

Basic Information

Formula
Dy8Er3Tm
Alex-ID
agm017337067
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
371.24
ų
Cell a
8.7383
Å
Cell b
3.5541
Å
Cell c
12.2970
Å
α angle
90.00
°
β angle
103.57
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Er3Tm
Dy
8.00 · 66.7%
Er
3.00 · 25.0%
Tm
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0059
eV/atom
Formation energy
0.0020
eV/atom
Corrected total energy
-54.9661
eV
Raw total energy
-54.9661
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0083
eV
DOS at Fermi level
15.5917
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB3C8_427_spg8

Decomposition

Er2Tm ErTm2 Dy7Er2

Computed at

2025-01-04 04:18:46

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: agm017337067).

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 agm017337067
data_agm017337067
_cell_length_a     8.73828
_cell_length_b     3.55406
_cell_length_c     12.29701
_cell_angle_alpha  90.00000
_cell_angle_beta   103.57082
_cell_angle_gamma  90.00000
_cell_volume       371.23791
_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 0.33557 0.00000 0.01430 1.00000
  Dy2 Dy 0.00242 0.50000 0.37471 1.00000
  Dy3 Dy 0.66709 0.00000 0.23606 1.00000
  Dy4 Dy 0.66876 0.50000 0.48645 1.00000
  Dy5 Dy 0.33645 0.00000 0.51351 1.00000
  Dy6 Dy 0.33727 0.50000 0.76447 1.00000
  Dy7 Dy 0.66970 0.50000 0.98666 1.00000
  Dy8 Dy 0.00279 0.00000 0.62581 1.00000
  Er1 Er 0.00436 0.00000 0.12550 1.00000
  Er2 Er 0.66907 0.00000 0.73645 1.00000
  Er3 Er 0.00132 0.50000 0.87541 1.00000
  Tm1 Tm 0.33554 0.50000 0.26411 1.00000
Get direct link