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Dy2Np7

Alexandria ALEX

Alex-ID: agm009745893 · Space group: P-1 (#2)

Basic Information

Formula
Dy2Np7
Alex-ID
agm009745893
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
202.14
ų
Cell a
3.4773
Å
Cell b
5.5059
Å
Cell c
10.6875
Å
α angle
94.68
°
β angle
95.58
°
γ angle
94.68
°

Composition

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

Energy & Stability

Energy above hull
0.2258
eV/atom
Formation energy
0.2258
eV/atom
Corrected total energy
-97.7602
eV
Raw total energy
-97.7602
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.8688
Total magnetisation
0.0010
μB

Additional Information

Prototype ID

A2B7_147_spg1

Decomposition

Np Dy

Computed at

2024-03-25 09:34:27.092912

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: agm009745893).

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 agm009745893
data_agm009745893
_cell_length_a     3.47734
_cell_length_b     5.50591
_cell_length_c     10.68746
_cell_angle_alpha  94.68382
_cell_angle_beta   95.57799
_cell_angle_gamma  94.68215
_cell_volume       202.14319
_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 0.74435 0.76107 0.54608 1.00000
  Dy2 Dy 0.25565 0.23893 0.45392 1.00000
  Np1 Np 0.74091 0.57931 0.93313 1.00000
  Np2 Np 0.25909 0.42069 0.06687 1.00000
  Np3 Np 0.66318 0.97163 0.21344 1.00000
  Np4 Np 0.33682 0.02837 0.78656 1.00000
  Np5 Np 0.86615 0.31450 0.74057 1.00000
  Np6 Np 0.13385 0.68550 0.25943 1.00000
  Np7 Np 0.00000 0.00000 0.00000 1.00000
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