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Dy2Y2UMn2

Alexandria ALEX

Alex-ID: agm018708279 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Y2UMn2
Alex-ID
agm018708279
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
171.76
ų
Cell a
5.9240
Å
Cell b
5.9240
Å
Cell c
8.4661
Å
α angle
68.53
°
β angle
111.47
°
γ angle
141.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Y2UMn2
Dy
2.00 · 28.6%
Y
2.00 · 28.6%
U
1.00 · 14.3%
Mn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0489
eV/atom
Formation energy
-0.0093
eV/atom
Corrected total energy
-51.8263
eV
Raw total energy
-51.8263
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.2882
Total magnetisation
0.8380
μB

Additional Information

Prototype ID

AB2C2D2_69_spg12

Decomposition

Dy2UMn2 Y2UMn2 DyY5

Computed at

2025-04-18 15:34:14

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: agm018708279).

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 agm018708279
data_agm018708279
_cell_length_a     5.92396
_cell_length_b     5.92396
_cell_length_c     8.46610
_cell_angle_alpha  68.52552
_cell_angle_beta   111.47448
_cell_angle_gamma  141.14792
_cell_volume       171.76146
_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 0.66744 0.33256 0.81125 1.00000
  Dy2 Dy 0.33256 0.66744 0.18875 1.00000
  Y1 Y 0.88303 0.11697 0.58088 1.00000
  Y2 Y 0.11697 0.88303 0.41912 1.00000
  U1 U 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.39941 0.60059 0.86409 1.00000
  Mn2 Mn 0.60059 0.39941 0.13591 1.00000
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