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Dy5(ErTm)2

Alexandria ALEX

Alex-ID: agm010013623 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy5(ErTm)2
Alex-ID
agm010013623
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
275.93
ų
Cell a
6.0861
Å
Cell b
6.0861
Å
Cell c
10.5304
Å
α angle
73.33
°
β angle
73.33
°
γ angle
48.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(ErTm)2
Dy
5.00 · 55.6%
Er
2.00 · 22.2%
Tm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0266
eV/atom
Formation energy
0.0214
eV/atom
Corrected total energy
-40.8945
eV
Raw total energy
-40.8945
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.9193
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_206_spg12

Decomposition

ErTm2 Dy7Er2 ErTm5

Computed at

2024-05-09 15:11:46.449091

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: agm010013623).

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 agm010013623
data_agm010013623
_cell_length_a     6.08607
_cell_length_b     6.08607
_cell_length_c     10.53043
_cell_angle_alpha  73.32862
_cell_angle_beta   73.32862
_cell_angle_gamma  48.17337
_cell_volume       275.92785
_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 0.66683 0.66683 0.27819 1.00000
  Dy2 Dy 0.33317 0.33317 0.72181 1.00000
  Dy3 Dy 0.00036 0.00036 0.16656 1.00000
  Dy4 Dy 0.99964 0.99964 0.83344 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Er1 Er 0.66685 0.66685 0.94397 1.00000
  Er2 Er 0.33315 0.33315 0.05603 1.00000
  Tm1 Tm 0.66685 0.66685 0.61097 1.00000
  Tm2 Tm 0.33315 0.33315 0.38903 1.00000
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