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La2Dy8Er

Alexandria ALEX

Alex-ID: agm005977830 · Space group: C2/m (#12)

Basic Information

Formula
La2Dy8Er
Alex-ID
agm005977830
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
356.65
ų
Cell a
5.0658
Å
Cell b
8.0015
Å
Cell c
9.4674
Å
α angle
104.73
°
β angle
105.52
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy8Er
La
2.00 · 18.2%
Dy
8.00 · 72.7%
Er
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0346
eV/atom
Formation energy
0.0296
eV/atom
Corrected total energy
-50.9216
eV
Raw total energy
-50.9216
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.8287
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C8_278_spg12

Decomposition

Dy5Er4 LaDy4 LaEr2

Computed at

2023-10-20 13:53:37

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: agm005977830).

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 agm005977830
data_agm005977830
_cell_length_a     5.06580
_cell_length_b     8.00151
_cell_length_c     9.46739
_cell_angle_alpha  104.73247
_cell_angle_beta   105.51792
_cell_angle_gamma  90.00000
_cell_volume       356.65217
_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
  La1 La 0.22692 0.63715 0.45384 1.00000
  La2 La 0.77308 0.36285 0.54616 1.00000
  Dy1 Dy 0.58872 0.45219 0.17743 1.00000
  Dy2 Dy 0.31965 0.09315 0.63930 1.00000
  Dy3 Dy 0.13413 0.17490 0.26826 1.00000
  Dy4 Dy 0.04354 0.72811 0.08708 1.00000
  Dy5 Dy 0.86587 0.82510 0.73174 1.00000
  Dy6 Dy 0.68035 0.90685 0.36070 1.00000
  Dy7 Dy 0.41128 0.54781 0.82257 1.00000
  Dy8 Dy 0.95646 0.27189 0.91292 1.00000
  Er1 Er 0.50000 0.00000 0.00000 1.00000
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