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Dy10ErTm4

Alexandria ALEX

Alex-ID: agm006007828 · Space group: I4/m (#87)

Basic Information

Formula
Dy10ErTm4
Alex-ID
agm006007828
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
550.19
ų
Cell a
7.6065
Å
Cell b
9.3165
Å
Cell c
9.3165
Å
α angle
80.41
°
β angle
65.91
°
γ angle
65.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy10ErTm4
Dy
10.00 · 66.7%
Er
1.00 · 6.7%
Tm
4.00 · 26.7%

Energy & Stability

Energy above hull
0.7230
eV/atom
Formation energy
0.7186
eV/atom
Corrected total energy
-57.7077
eV
Raw total energy
-57.7077
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.8774
Total magnetisation
-0.0013
μB

Additional Information

Prototype ID

AB4C10_7_spg87

Decomposition

Dy7Er2 ErTm5 Dy5Tm

Computed at

2023-08-08 03:29:31.351660

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: agm006007828).

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 agm006007828
data_agm006007828
_cell_length_a     7.60645
_cell_length_b     9.31647
_cell_length_c     9.31647
_cell_angle_alpha  80.40700
_cell_angle_beta   65.90656
_cell_angle_gamma  65.90656
_cell_volume       550.19100
_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 0.25000 0.50000 0.50000 1.00000
  Dy2 Dy 0.64997 0.30010 0.89941 1.00000
  Dy3 Dy 0.04993 0.10059 0.30010 1.00000
  Dy4 Dy 0.45062 0.89941 0.69990 1.00000
  Dy5 Dy 0.84948 0.69990 0.10059 1.00000
  Dy6 Dy 0.35003 0.69990 0.10059 1.00000
  Dy7 Dy 0.75000 0.50000 0.50000 1.00000
  Dy8 Dy 0.15052 0.30010 0.89941 1.00000
  Dy9 Dy 0.54938 0.10059 0.30010 1.00000
  Dy10 Dy 0.95007 0.89941 0.69990 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.39969 0.80041 0.40021 1.00000
  Tm2 Tm 0.79990 0.59979 0.80041 1.00000
  Tm3 Tm 0.20010 0.40021 0.19959 1.00000
  Tm4 Tm 0.60031 0.19959 0.59979 1.00000
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