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Dy8YTm2

Alexandria ALEX

Alex-ID: agm003514780 · Space group: C2/m (#12)

Basic Information

Formula
Dy8YTm2
Alex-ID
agm003514780
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
352.01
ų
Cell a
5.8863
Å
Cell b
9.0480
Å
Cell c
9.4121
Å
α angle
61.27
°
β angle
73.27
°
γ angle
53.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8YTm2
Dy
8.00 · 72.7%
Y
1.00 · 9.1%
Tm
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1566
eV/atom
Formation energy
0.1531
eV/atom
Corrected total energy
-50.5519
eV
Raw total energy
-50.5519
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.2005
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB2C8_284_spg12

Decomposition

Dy5Tm Y5Tm DyTm5

Computed at

2022-03-18 15:04:56.168909

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: agm003514780).

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 agm003514780
data_agm003514780
_cell_length_a     5.88631
_cell_length_b     9.04801
_cell_length_c     9.41206
_cell_angle_alpha  61.27144
_cell_angle_beta   73.26851
_cell_angle_gamma  53.20598
_cell_volume       352.00976
_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 0.80136 0.09663 0.24911 1.00000
  Dy2 Dy 0.80136 0.34574 0.75089 1.00000
  Dy3 Dy 0.28629 0.44745 1.00000 1.00000
  Dy4 Dy 0.50000 0.79609 0.40782 1.00000
  Dy5 Dy 0.50000 0.20391 0.59218 1.00000
  Dy6 Dy 0.71371 0.55255 0.00000 1.00000
  Dy7 Dy 0.19864 0.65426 0.24911 1.00000
  Dy8 Dy 0.19864 0.90337 0.75089 1.00000
  Y1 Y 0.50000 0.00000 0.00000 1.00000
  Tm1 Tm 1.00000 0.31109 0.37781 1.00000
  Tm2 Tm 0.00000 0.68891 0.62219 1.00000
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