Navigation

HEAS Data Platform · Materials Science Database

Dy4Er3Tm2

Alexandria ALEX

Alex-ID: agm033757510 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Er3Tm2
Alex-ID
agm033757510
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
275.90
ų
Cell a
9.3928
Å
Cell b
9.3928
Å
Cell c
9.4001
Å
α angle
64.54
°
β angle
115.46
°
γ angle
158.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Er3Tm2
Dy
4.00 · 44.4%
Er
3.00 · 33.3%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0059
eV/atom
Formation energy
0.0001
eV/atom
Corrected total energy
-41.0458
eV
Raw total energy
-41.0458
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.0214
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B3C4_453_spg12

Decomposition

Er2Tm ErTm2 Dy7Er2

Computed at

2025-03-15 02:42:48

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: agm033757510).

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 agm033757510
data_agm033757510
_cell_length_a     9.39277
_cell_length_b     9.39277
_cell_length_c     9.40010
_cell_angle_alpha  64.53988
_cell_angle_beta   115.46012
_cell_angle_gamma  158.28345
_cell_volume       275.90033
_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 0.81467 0.18533 0.66690 1.00000
  Dy2 Dy 0.18533 0.81467 0.33310 1.00000
  Dy3 Dy 0.51863 0.48137 0.33428 1.00000
  Dy4 Dy 0.48137 0.51863 0.66572 1.00000
  Er1 Er 0.33312 0.66688 0.00088 1.00000
  Er2 Er 0.66688 0.33312 0.99912 1.00000
  Er3 Er 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.85175 0.14825 0.33277 1.00000
  Tm2 Tm 0.14825 0.85175 0.66723 1.00000
Get direct link