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Np2MnAg

Alexandria ALEX

Alex-ID: agm002289201 · Space group: C2/m (#12)

Basic Information

Formula
Np2MnAg
Alex-ID
agm002289201
Elements
3
Sites
4
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
77.12
ų
Cell a
5.4662
Å
Cell b
5.7284
Å
Cell c
3.6034
Å
α angle
71.67
°
β angle
70.85
°
γ angle
46.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Np2MnAg
Np
2.00 · 50.0%
Mn
1.00 · 25.0%
Ag
1.00 · 25.0%

Energy & Stability

Energy above hull
0.4017
eV/atom
Formation energy
0.4017
eV/atom
Corrected total energy
-36.2954
eV
Raw total energy
-36.2954
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
5.6749
Total magnetisation
3.2978
μB

Additional Information

Prototype ID

ABC2_2_spg119

Decomposition

Np Mn Ag

Computed at

2018-12-17 00:22:43

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: agm002289201).

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 agm002289201
data_agm002289201
_cell_length_a     5.46617
_cell_length_b     5.72843
_cell_length_c     3.60340
_cell_angle_alpha  71.67102
_cell_angle_beta   70.85462
_cell_angle_gamma  46.86510
_cell_volume       77.11505
_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
  Np1 Np 0.46827 0.56624 0.48349 1.00000
  Np2 Np 0.03179 0.93370 0.01650 1.00000
  Mn1 Mn 0.74991 0.75008 0.75003 1.00000
  Ag1 Ag 0.25001 0.24999 0.24999 1.00000
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