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Dy8Er3

Alexandria ALEX

Alex-ID: agm007806655 · Space group: C2/m (#12)

Basic Information

Formula
Dy8Er3
Alex-ID
agm007806655
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
340.31
ų
Cell a
6.1017
Å
Cell b
6.1017
Å
Cell c
16.5256
Å
α angle
90.05
°
β angle
90.05
°
γ angle
33.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Er3
Dy
8.00 · 72.7%
Er
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0225
eV/atom
Formation energy
0.0194
eV/atom
Corrected total energy
-50.3053
eV
Raw total energy
-50.3053
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9518
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A3B8_97_spg12

Decomposition

Dy5Er4 Dy7Er2

Computed at

2024-05-11 06:00:49.359569

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: agm007806655).

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 agm007806655
data_agm007806655
_cell_length_a     6.10175
_cell_length_b     6.10175
_cell_length_c     16.52555
_cell_angle_alpha  90.05169
_cell_angle_beta   90.05169
_cell_angle_gamma  33.58082
_cell_volume       340.31271
_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 0.72709 0.72709 0.40912 1.00000
  Dy2 Dy 0.27291 0.27291 0.59088 1.00000
  Dy3 Dy 0.54536 0.54536 0.68179 1.00000
  Dy4 Dy 0.45464 0.45464 0.31821 1.00000
  Dy5 Dy 0.81790 0.81790 0.77280 1.00000
  Dy6 Dy 0.18210 0.18210 0.22720 1.00000
  Dy7 Dy 0.63617 0.63617 0.04531 1.00000
  Dy8 Dy 0.36383 0.36383 0.95469 1.00000
  Er1 Er 0.00000 0.00000 0.50000 1.00000
  Er2 Er 0.90914 0.90914 0.13622 1.00000
  Er3 Er 0.09086 0.09086 0.86378 1.00000
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