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Nb10Os

Alexandria ALEX

Alex-ID: agm043589693 · Space group: C2/m (#12)

Basic Information

Formula
Nb10Os
Alex-ID
agm043589693
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
195.06
ų
Cell a
8.0263
Å
Cell b
8.0263
Å
Cell c
5.4371
Å
α angle
89.86
°
β angle
90.14
°
γ angle
146.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nb10Os
Nb
10.00 · 90.9%
Os
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0095
eV/atom
Formation energy
-0.1132
eV/atom
Corrected total energy
-113.1727
eV
Raw total energy
-113.1727
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0107
eV
DOS at Fermi level
14.6519
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB10_24_spg12

Decomposition

Nb15Os Nb7Os

Computed at

2025-03-05 06:45:59

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: agm043589693).

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 agm043589693
data_agm043589693
_cell_length_a     8.02631
_cell_length_b     8.02631
_cell_length_c     5.43714
_cell_angle_alpha  89.86316
_cell_angle_beta   90.13684
_cell_angle_gamma  146.15939
_cell_volume       195.05898
_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
  Nb1 Nb 0.77369 0.22631 0.36586 1.00000
  Nb2 Nb 0.22631 0.77369 0.63414 1.00000
  Nb3 Nb 0.41123 0.58877 0.55300 1.00000
  Nb4 Nb 0.67908 0.32092 0.90904 1.00000
  Nb5 Nb 0.86447 0.13553 0.81843 1.00000
  Nb6 Nb 0.95608 0.04392 0.26551 1.00000
  Nb7 Nb 0.13553 0.86447 0.18157 1.00000
  Nb8 Nb 0.32092 0.67908 0.09096 1.00000
  Nb9 Nb 0.58877 0.41123 0.44700 1.00000
  Nb10 Nb 0.04392 0.95608 0.73449 1.00000
  Os1 Os 0.50000 0.50000 0.00000 1.00000
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