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Dy2Np2Co3

Alexandria ALEX

Alex-ID: agm009955643 · Space group: P1 (#1)

Basic Information

Formula
Dy2Np2Co3
Alex-ID
agm009955643
Elements
3
Sites
14
Space group
P1 (#1)
Crystal system
triclinic
Volume
267.85
ų
Cell a
6.1760
Å
Cell b
5.8254
Å
Cell c
7.8613
Å
α angle
89.63
°
β angle
81.49
°
γ angle
73.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Np2Co3
Dy
4.00 · 28.6%
Np
4.00 · 28.6%
Co
6.00 · 42.9%

Energy & Stability

Energy above hull
0.2174
eV/atom
Formation energy
0.0314
eV/atom
Corrected total energy
-112.4803
eV
Raw total energy
-112.4803
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
21.2882
Total magnetisation
1.4992
μB

Additional Information

Prototype ID

A2B2C3_3155_spg4

Decomposition

Dy5Co2 NpCo DyCo

Computed at

2024-03-24 23:28:38.934185

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: agm009955643).

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 agm009955643
data_agm009955643
_cell_length_a     6.17599
_cell_length_b     5.82541
_cell_length_c     7.86134
_cell_angle_alpha  89.63420
_cell_angle_beta   81.48727
_cell_angle_gamma  73.38567
_cell_volume       267.84602
_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 0.75537 0.10958 0.11600 1.00000
  Dy2 Dy 0.36516 0.05516 0.46177 1.00000
  Dy3 Dy 0.73225 0.38199 0.52410 1.00000
  Dy4 Dy 0.18396 0.38332 0.08255 1.00000
  Np1 Np 0.19452 0.84528 0.82068 1.00000
  Np2 Np 0.68630 0.61410 0.90566 1.00000
  Np3 Np 0.00788 0.74624 0.41102 1.00000
  Np4 Np 0.83420 0.88440 0.70881 1.00000
  Co1 Co 0.47499 0.12286 0.82282 1.00000
  Co2 Co 0.99555 0.29215 0.79624 1.00000
  Co3 Co 0.37672 0.85610 0.09828 1.00000
  Co4 Co 0.27285 0.48554 0.67668 1.00000
  Co5 Co 0.38440 0.56028 0.33287 1.00000
  Co6 Co 0.73818 0.66356 0.24112 1.00000
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