Navigation

HEAS Data Platform · Materials Science Database

Dy2Np7

Alexandria ALEX

Alex-ID: agm009389682 · Space group: P-1 (#2)

Basic Information

Formula
Dy2Np7
Alex-ID
agm009389682
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
197.08
ų
Cell a
3.2723
Å
Cell b
8.0618
Å
Cell c
9.2217
Å
α angle
125.58
°
β angle
95.11
°
γ angle
87.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Np7
Dy
2.00 · 22.2%
Np
7.00 · 77.8%

Energy & Stability

Energy above hull
0.2699
eV/atom
Formation energy
0.2699
eV/atom
Corrected total energy
-97.3633
eV
Raw total energy
-97.3633
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
22.5771
Total magnetisation
0.2670
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

Np Dy

Computed at

2024-03-20 20:18:12

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: agm009389682).

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 agm009389682
data_agm009389682
_cell_length_a     3.27230
_cell_length_b     8.06181
_cell_length_c     9.22175
_cell_angle_alpha  125.57517
_cell_angle_beta   95.10509
_cell_angle_gamma  87.47389
_cell_volume       197.07527
_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 0.74052 0.44007 0.30789 1.00000
  Dy2 Dy 0.25948 0.55993 0.69211 1.00000
  Np1 Np 0.75852 0.63663 0.04976 1.00000
  Np2 Np 0.24148 0.36337 0.95024 1.00000
  Np3 Np 0.12382 0.84886 0.36341 1.00000
  Np4 Np 0.87618 0.15114 0.63659 1.00000
  Np5 Np 0.00000 0.00000 0.00000 1.00000
  Np6 Np 0.34051 0.05571 0.26735 1.00000
  Np7 Np 0.65949 0.94429 0.73265 1.00000
Get direct link