Navigation

HEAS Data Platform · Materials Science Database

Ce2Np2MnSb2

Alexandria ALEX

Alex-ID: agm024271617 · Space group: C2/m (#12)

Basic Information

Formula
Ce2Np2MnSb2
Alex-ID
agm024271617
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
182.27
ų
Cell a
4.7749
Å
Cell b
4.7749
Å
Cell c
8.2181
Å
α angle
80.55
°
β angle
99.45
°
γ angle
90.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Np2MnSb2
Ce
2.00 · 28.6%
Np
2.00 · 28.6%
Mn
1.00 · 14.3%
Sb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.4052
eV/atom
Formation energy
-0.1898
eV/atom
Corrected total energy
-56.4922
eV
Raw total energy
-56.4922
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0072
eV
DOS at Fermi level
19.5069
Total magnetisation
9.0578
μB

Additional Information

Prototype ID

AB2C2D2_132_spg139

Decomposition

CeSb Mn Np

Computed at

2025-02-07 09:58:16

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: agm024271617).

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 agm024271617
data_agm024271617
_cell_length_a     4.77490
_cell_length_b     4.77490
_cell_length_c     8.21810
_cell_angle_alpha  80.55307
_cell_angle_beta   99.44693
_cell_angle_gamma  90.22992
_cell_volume       182.27150
_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
  Ce1 Ce 0.00000 0.50000 0.00000 1.00000
  Ce2 Ce 0.50000 0.00000 0.00000 1.00000
  Np1 Np 0.07860 0.92140 0.35536 1.00000
  Np2 Np 0.92140 0.07860 0.64464 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.42273 0.57727 0.70659 1.00000
  Sb2 Sb 0.57727 0.42273 0.29341 1.00000
Get direct link