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Ce8NpOs4

Alexandria ALEX

Alex-ID: agm097434288 · Space group: P1 (#1)

Basic Information

Formula
Ce8NpOs4
Alex-ID
agm097434288
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
304.68
ų
Cell a
4.2870
Å
Cell b
9.2749
Å
Cell c
8.6946
Å
α angle
61.97
°
β angle
90.70
°
γ angle
87.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8NpOs4
Ce
8.00 · 61.5%
Np
1.00 · 7.7%
Os
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1622
eV/atom
Formation energy
-0.0134
eV/atom
Corrected total energy
-105.5044
eV
Raw total energy
-105.5044
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
28.5804
Total magnetisation
3.0304
μB

Additional Information

Prototype ID

AB4C8_692_spg1

Decomposition

Ce4Os3 Ce7Os3 Np

Computed at

2025-06-21 01:17:52

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: agm097434288).

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 agm097434288
data_agm097434288
_cell_length_a     4.28697
_cell_length_b     9.27487
_cell_length_c     8.69461
_cell_angle_alpha  61.96903
_cell_angle_beta   90.70035
_cell_angle_gamma  87.57203
_cell_volume       304.67694
_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 0.34040 0.09493 0.34580 1.00000
  Ce2 Ce 0.23906 0.65988 0.18639 1.00000
  Ce3 Ce 0.25397 0.64901 0.62523 1.00000
  Ce4 Ce 0.35460 0.25109 0.61246 1.00000
  Ce5 Ce 0.80548 0.86109 0.27776 1.00000
  Ce6 Ce 0.78897 0.34406 0.25688 1.00000
  Ce7 Ce 0.79141 0.33111 0.88123 1.00000
  Ce8 Ce 0.57080 0.78792 0.83675 1.00000
  Np1 Np 0.42084 0.07222 0.03151 1.00000
  Os1 Os 0.97939 0.00032 0.88378 1.00000
  Os2 Os 0.22983 0.46130 0.00291 1.00000
  Os3 Os 0.79105 0.51224 0.47782 1.00000
  Os4 Os 0.93420 0.97483 0.58147 1.00000
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