Navigation

HEAS Data Platform · Materials Science Database

Dy2ErTm2

Alexandria ALEX

Alex-ID: agm013672576 · Space group: Immm (#71)

Basic Information

Formula
Dy2ErTm2
Alex-ID
agm013672576
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
152.14
ų
Cell a
9.2699
Å
Cell b
9.2699
Å
Cell c
9.2699
Å
α angle
158.19
°
β angle
149.01
°
γ angle
38.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2ErTm2
Dy
2.00 · 40.0%
Er
1.00 · 20.0%
Tm
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0298
eV/atom
Formation energy
0.0231
eV/atom
Corrected total energy
-22.5981
eV
Raw total energy
-22.5981
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.0247
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C2_419_spg12

Decomposition

ErTm2 Dy7Er2 ErTm5

Computed at

2025-04-16 00:31:44

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: agm013672576).

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 agm013672576
data_agm013672576
_cell_length_a     9.26987
_cell_length_b     9.26987
_cell_length_c     9.26987
_cell_angle_alpha  158.19135
_cell_angle_beta   149.01346
_cell_angle_gamma  38.21286
_cell_volume       152.13842
_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 0.60038 0.10038 0.50000 1.00000
  Dy2 Dy 0.39962 0.89962 0.50000 1.00000
  Er1 Er 0.00000 0.50000 0.50000 1.00000
  Tm1 Tm 0.20060 0.70060 0.50000 1.00000
  Tm2 Tm 0.79940 0.29940 0.50000 1.00000
Get direct link