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HEAS Data Platform · Materials Science Database

Dy6ErCo8

Alexandria ALEX

Alex-ID: agm072143802 · Space group: R-3 (#148)

Basic Information

Formula
Dy6ErCo8
Alex-ID
agm072143802
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
291.72
ų
Cell a
7.0154
Å
Cell b
7.0154
Å
Cell c
7.0154
Å
α angle
106.45
°
β angle
106.45
°
γ angle
106.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6ErCo8
Dy
6.00 · 40.0%
Er
1.00 · 6.7%
Co
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1091
eV/atom
Formation energy
-0.0973
eV/atom
Corrected total energy
-90.6347
eV
Raw total energy
-90.6347
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
14.8532
Total magnetisation
4.9083
μB

Additional Information

Prototype ID

AB6C8_104_spg148

Decomposition

ErCo2 DyCo

Computed at

2024-10-05 19:43:57.872960

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: agm072143802).

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 agm072143802
data_agm072143802
_cell_length_a     7.01545
_cell_length_b     7.01545
_cell_length_c     7.01545
_cell_angle_alpha  106.45441
_cell_angle_beta   106.45441
_cell_angle_gamma  106.45441
_cell_volume       291.72258
_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 0.15859 0.77693 0.66255 1.00000
  Dy2 Dy 0.66255 0.15859 0.77693 1.00000
  Dy3 Dy 0.77693 0.66255 0.15859 1.00000
  Dy4 Dy 0.84141 0.22307 0.33745 1.00000
  Dy5 Dy 0.33745 0.84141 0.22307 1.00000
  Dy6 Dy 0.22307 0.33745 0.84141 1.00000
  Er1 Er 0.50000 0.50000 0.50000 1.00000
  Co1 Co 0.85635 0.85635 0.85635 1.00000
  Co2 Co 0.14365 0.14365 0.14365 1.00000
  Co3 Co 0.84070 0.92785 0.54964 1.00000
  Co4 Co 0.54964 0.84070 0.92785 1.00000
  Co5 Co 0.92785 0.54964 0.84070 1.00000
  Co6 Co 0.15930 0.07215 0.45036 1.00000
  Co7 Co 0.45036 0.15930 0.07215 1.00000
  Co8 Co 0.07215 0.45036 0.15930 1.00000
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