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DyYErTm2

Alexandria ALEX

Alex-ID: agm052480920 · Space group: P2_1/m (#11)

Basic Information

Formula
DyYErTm2
Alex-ID
agm052480920
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
312.49
ų
Cell a
6.2352
Å
Cell b
5.5706
Å
Cell c
9.5203
Å
α angle
90.00
°
β angle
109.09
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyYErTm2
Dy
2.00 · 20.0%
Y
2.00 · 20.0%
Er
2.00 · 20.0%
Tm
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0073
eV/atom
Formation energy
-0.0004
eV/atom
Corrected total energy
-49.1497
eV
Raw total energy
-49.1497
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.5339
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1685_spg63

Decomposition

ErTm5 Dy7Er2 Y5Er ErTm2

Computed at

2025-03-01 00:37:47

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: agm052480920).

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 agm052480920
data_agm052480920
_cell_length_a     6.23524
_cell_length_b     5.57056
_cell_length_c     9.52030
_cell_angle_alpha  90.00000
_cell_angle_beta   109.08985
_cell_angle_gamma  90.00000
_cell_volume       312.49094
_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 0.13367 0.25000 0.10034 1.00000
  Dy2 Dy 0.86633 0.75000 0.89966 1.00000
  Y1 Y 0.93393 0.25000 0.69814 1.00000
  Y2 Y 0.06607 0.75000 0.30186 1.00000
  Er1 Er 0.53504 0.25000 0.90048 1.00000
  Er2 Er 0.46496 0.75000 0.09952 1.00000
  Tm1 Tm 0.26995 0.75000 0.69995 1.00000
  Tm2 Tm 0.73005 0.25000 0.30005 1.00000
  Tm3 Tm 0.66563 0.75000 0.49923 1.00000
  Tm4 Tm 0.33437 0.25000 0.50077 1.00000
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