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Dy2Np7

Alexandria ALEX

Alex-ID: agm009628232 · Space group: P-1 (#2)

Basic Information

Formula
Dy2Np7
Alex-ID
agm009628232
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
195.15
ų
Cell a
3.3911
Å
Cell b
8.0351
Å
Cell c
7.9105
Å
α angle
111.44
°
β angle
81.62
°
γ angle
102.80
°

Composition

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

Energy & Stability

Energy above hull
0.2262
eV/atom
Formation energy
0.2262
eV/atom
Corrected total energy
-97.7572
eV
Raw total energy
-97.7572
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
22.2871
Total magnetisation
-2.2001
μB

Additional Information

Prototype ID

A2B7_187_spg2

Decomposition

Np Dy

Computed at

2024-03-25 12:51:09.239628

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: agm009628232).

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 agm009628232
data_agm009628232
_cell_length_a     3.39114
_cell_length_b     8.03507
_cell_length_c     7.91053
_cell_angle_alpha  111.43870
_cell_angle_beta   81.62210
_cell_angle_gamma  102.80364
_cell_volume       195.14662
_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 0.68645 0.86762 0.62048 1.00000
  Dy2 Dy 0.31355 0.13238 0.37952 1.00000
  Np1 Np 0.54012 0.69918 0.17866 1.00000
  Np2 Np 0.45988 0.30082 0.82134 1.00000
  Np3 Np 0.16006 0.50491 0.35281 1.00000
  Np4 Np 0.83994 0.49509 0.64719 1.00000
  Np5 Np 0.10815 0.69685 0.94805 1.00000
  Np6 Np 0.89185 0.30315 0.05195 1.00000
  Np7 Np 0.00000 0.00000 0.00000 1.00000
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