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DyNpCo10

Alexandria ALEX

Alex-ID: agm005598539 · Space group: Pmmm (#47)

Alexandria Database API

Basic Information

Formula
DyNpCo10
Alex-ID
agm005598539
Elements
3
Sites
12
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
163.07
ų
Cell a
3.9816
Å
Cell b
4.8895
Å
Cell c
8.3761
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyNpCo10
Dy
1.00 · 8.3%
Np
1.00 · 8.3%
Co
10.00 · 83.3%

Energy & Stability

Energy above hull
0.0408
eV/atom
Formation energy
-0.0594
eV/atom
Corrected total energy
-89.4953
eV
Raw total energy
-89.4953
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0016
eV
DOS at Fermi level
17.9469
Total magnetisation
10.0786
μB

Additional Information

Prototype ID

ABC10_0_spg47

Decomposition

Dy2Co17 NpCo Co

Computed at

2023-06-09 04:50:52.756889

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: agm005598539).

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 agm005598539
data_agm005598539
_cell_length_a     3.98163
_cell_length_b     4.88945
_cell_length_c     8.37610
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       163.06605
_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 0.00000 0.00000 0.00000 1.00000
  Np1 Np 0.00000 0.50000 0.50000 1.00000
  Co1 Co 0.00000 0.00000 0.34414 1.00000
  Co2 Co 0.00000 0.50000 0.81465 1.00000
  Co3 Co 0.00000 0.50000 0.18535 1.00000
  Co4 Co 0.00000 0.00000 0.65586 1.00000
  Co5 Co 0.50000 0.00000 0.50000 1.00000
  Co6 Co 0.50000 0.50000 0.00000 1.00000
  Co7 Co 0.50000 0.24763 0.25004 1.00000
  Co8 Co 0.50000 0.75237 0.74996 1.00000
  Co9 Co 0.50000 0.75237 0.25004 1.00000
  Co10 Co 0.50000 0.24763 0.74996 1.00000
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