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Pm8Dy6Co

Alexandria ALEX

Alex-ID: agm072909692 · Space group: R-3 (#148)

Basic Information

Formula
Pm8Dy6Co
Alex-ID
agm072909692
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
482.43
ų
Cell a
8.1702
Å
Cell b
8.1702
Å
Cell c
8.1702
Å
α angle
72.47
°
β angle
72.47
°
γ angle
72.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Dy6Co
Pm
8.00 · 53.3%
Dy
6.00 · 40.0%
Co
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0715
eV/atom
Formation energy
0.0279
eV/atom
Corrected total energy
-72.3332
eV
Raw total energy
-72.3332
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.2251
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Pm3Dy5 Dy3Co Pm

Computed at

2024-10-05 21:10:03.024619

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: agm072909692).

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 agm072909692
data_agm072909692
_cell_length_a     8.17022
_cell_length_b     8.17022
_cell_length_c     8.17022
_cell_angle_alpha  72.46923
_cell_angle_beta   72.46923
_cell_angle_gamma  72.46923
_cell_volume       482.42971
_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
  Pm1 Pm 0.25466 0.25466 0.25466 1.00000
  Pm2 Pm 0.74534 0.74534 0.74534 1.00000
  Pm3 Pm 0.88506 0.04133 0.33344 1.00000
  Pm4 Pm 0.33344 0.88506 0.04133 1.00000
  Pm5 Pm 0.04133 0.33344 0.88506 1.00000
  Pm6 Pm 0.11494 0.95867 0.66656 1.00000
  Pm7 Pm 0.66656 0.11494 0.95867 1.00000
  Pm8 Pm 0.95867 0.66656 0.11494 1.00000
  Dy1 Dy 0.18037 0.60321 0.46426 1.00000
  Dy2 Dy 0.46426 0.18037 0.60321 1.00000
  Dy3 Dy 0.60321 0.46426 0.18037 1.00000
  Dy4 Dy 0.81963 0.39679 0.53574 1.00000
  Dy5 Dy 0.53574 0.81963 0.39679 1.00000
  Dy6 Dy 0.39679 0.53574 0.81963 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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