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DyErTm2

Alexandria ALEX

Alex-ID: agm014247602 · Space group: Cm (#8)

Basic Information

Formula
DyErTm2
Alex-ID
agm014247602
Elements
3
Sites
4
Space group
Cm (#8)
Crystal system
monoclinic
Volume
122.86
ų
Cell a
6.6028
Å
Cell b
6.6028
Å
Cell c
6.1966
Å
α angle
62.02
°
β angle
117.98
°
γ angle
148.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyErTm2
Dy
1.00 · 25.0%
Er
1.00 · 25.0%
Tm
2.00 · 50.0%

Energy & Stability

Energy above hull
0.0075
eV/atom
Formation energy
-0.0006
eV/atom
Corrected total energy
-18.1120
eV
Raw total energy
-18.1120
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0355
eV
DOS at Fermi level
6.9187
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC2_1041_spg12

Decomposition

ErTm2 Dy7Er2 ErTm5

Computed at

2025-04-13 21:55:47

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: agm014247602).

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 agm014247602
data_agm014247602
_cell_length_a     6.60285
_cell_length_b     6.60285
_cell_length_c     6.19663
_cell_angle_alpha  62.01814
_cell_angle_beta   117.98186
_cell_angle_gamma  148.61290
_cell_volume       122.86225
_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 0.50868 0.49132 0.95775 1.00000
  Er1 Er 0.25982 0.74018 0.04229 1.00000
  Tm1 Tm 0.00933 0.99067 0.45954 1.00000
  Tm2 Tm 0.75829 0.24171 0.54041 1.00000
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