OsN
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018849 · Space group: Pm-3m (#221)
Basic Information
Formula
OsN
MP-ID
mp-1018849
Elements
2
Sites
6
Density
15.1486
g/cm³
Volume
67.16
ų
Cell a
4.0648
Å
Cell b
4.0648
Å
Cell c
4.0648
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.87 | 4.0648 | 33.8 | (1,0,0) |
| 31.12 | 2.8743 | 38.9 | (1,1,0) |
| 38.35 | 2.3468 | 100.0 | (1,1,1) |
| 44.58 | 2.0324 | 64.8 | (2,0,0) |
| 50.19 | 1.8179 | 15.9 | (2,1,0) |
| 55.36 | 1.6595 | 15.1 | (2,1,1) |
| 64.88 | 1.4371 | 42.0 | (2,2,0) |
| 69.36 | 1.3550 | 7.8 | (2,2,1) |
| 73.70 | 1.2854 | 6.4 | (3,1,0) |
| 77.96 | 1.2256 | 41.0 | (3,1,1) |
| 82.14 | 1.1734 | 14.6 | (2,2,2) |
| 86.28 | 1.1274 | 3.6 | (3,2,0) |
Energy Properties
Formation Energy/atom
0.47284
eV/atom
Energy/atom
-30.58415
eV/atom
Energy above Hull
0.4728
eV/atom
Uncorrected Energy
-9.1286
eV/atom
Volume/atom
11.19
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0077
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų
Elastic Properties
KVRH
353.873
GPa
GVRH
130.572
GPa
Young's Modulus E
348.814
GPa
Poisson Ratio ν
0.336
Pugh Ratio K/G
2.710
Vickers Hardness Est.
7.769
GPa
Ductility
Brittle
Anisotropy
0.245
Lame λ
266.825
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Os · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2450
Homogeneous Poisson ν
0.3360
Debye Temperature
438.4
K
Sound Velocity
3,294.6
m/s
Homogeneity
0.3360
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018849
Reference Citation
The crystal structure and related material properties of OsN were obtained from the Materials Project database (MP-ID: mp-1018849, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_OsN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06484300
_cell_length_b 4.06484300
_cell_length_c 4.06484300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsN
_chemical_formula_sum 'Os3 N3'
_cell_volume 67.16319202
_cell_formula_units_Z 3
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 0.50000000 0.50000000 0.00000000 1.0
Os Os1 1 0.50000000 0.00000000 0.50000000 1.0
Os Os2 1 0.00000000 0.50000000 0.50000000 1.0
N N3 1 0.00000000 0.00000000 0.50000000 1.0
N N4 1 0.00000000 0.50000000 0.00000000 1.0
N N5 1 0.50000000 0.00000000 0.00000000 1.0
