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Dy8NpCo6

Alexandria ALEX

Alex-ID: agm013192811 · Space group: R-3 (#148)

Basic Information

Formula
Dy8NpCo6
Alex-ID
agm013192811
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
330.75
ų
Cell a
7.9600
Å
Cell b
7.9600
Å
Cell c
7.9600
Å
α angle
56.85
°
β angle
56.85
°
γ angle
56.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8NpCo6
Dy
8.00 · 53.3%
Np
1.00 · 6.7%
Co
6.00 · 40.0%

Energy & Stability

Energy above hull
0.0984
eV/atom
Formation energy
-0.0876
eV/atom
Corrected total energy
-93.8280
eV
Raw total energy
-93.8280
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.0716
Total magnetisation
-1.2482
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Dy5Co2 NpCo DyCo

Computed at

2024-05-28 18:21:43.338771

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: agm013192811).

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 agm013192811
data_agm013192811
_cell_length_a     7.96001
_cell_length_b     7.96001
_cell_length_c     7.96001
_cell_angle_alpha  56.85443
_cell_angle_beta   56.85443
_cell_angle_gamma  56.85443
_cell_volume       330.75143
_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 0.22610 0.89266 0.55500 1.00000
  Dy2 Dy 0.10734 0.44500 0.77390 1.00000
  Dy3 Dy 0.44500 0.77390 0.10734 1.00000
  Dy4 Dy 0.66592 0.66592 0.66592 1.00000
  Dy5 Dy 0.33408 0.33408 0.33408 1.00000
  Dy6 Dy 0.55500 0.22610 0.89266 1.00000
  Dy7 Dy 0.89266 0.55500 0.22610 1.00000
  Dy8 Dy 0.77390 0.10734 0.44500 1.00000
  Np1 Np 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.04243 0.73703 0.34778 1.00000
  Co2 Co 0.26297 0.65222 0.95757 1.00000
  Co3 Co 0.65222 0.95757 0.26297 1.00000
  Co4 Co 0.34778 0.04243 0.73703 1.00000
  Co5 Co 0.73703 0.34778 0.04243 1.00000
  Co6 Co 0.95757 0.26297 0.65222 1.00000
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