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Y8Er6Co

Alexandria ALEX

Alex-ID: agm072909744 · Space group: R-3 (#148)

Basic Information

Formula
Y8Er6Co
Alex-ID
agm072909744
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
459.41
ų
Cell a
8.0347
Å
Cell b
8.0347
Å
Cell c
8.0347
Å
α angle
72.57
°
β angle
72.57
°
γ angle
72.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8Er6Co
Y
8.00 · 53.3%
Er
6.00 · 40.0%
Co
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0647
eV/atom
Formation energy
0.0112
eV/atom
Corrected total energy
-86.0380
eV
Raw total energy
-86.0380
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.5313
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

YEr5 Y5Er Er3Co

Computed at

2024-10-05 21:38:30.947955

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: agm072909744).

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 agm072909744
data_agm072909744
_cell_length_a     8.03467
_cell_length_b     8.03467
_cell_length_c     8.03467
_cell_angle_alpha  72.56654
_cell_angle_beta   72.56654
_cell_angle_gamma  72.56654
_cell_volume       459.41280
_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
  Y1 Y 0.25285 0.25285 0.25285 1.00000
  Y2 Y 0.74715 0.74715 0.74715 1.00000
  Y3 Y 0.88510 0.04191 0.33156 1.00000
  Y4 Y 0.33156 0.88510 0.04191 1.00000
  Y5 Y 0.04191 0.33156 0.88510 1.00000
  Y6 Y 0.11490 0.95809 0.66844 1.00000
  Y7 Y 0.66844 0.11490 0.95809 1.00000
  Y8 Y 0.95809 0.66844 0.11490 1.00000
  Er1 Er 0.18008 0.60512 0.46235 1.00000
  Er2 Er 0.46235 0.18008 0.60512 1.00000
  Er3 Er 0.60512 0.46235 0.18008 1.00000
  Er4 Er 0.81992 0.39488 0.53765 1.00000
  Er5 Er 0.53765 0.81992 0.39488 1.00000
  Er6 Er 0.39488 0.53765 0.81992 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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