OsN2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-973935 · Space group: P6/mmm (#191)
Basic Information
Formula
OsN2
MP-ID
mp-973935
Elements
2
Sites
3
Density
10.7354
g/cm³
Volume
33.76
ų
Cell a
2.8094
Å
Cell b
2.8094
Å
Cell c
4.9389
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.96 | 4.9389 | 100.0 | (0,0,0,1) |
| 36.38 | 2.4694 | 23.8 | (0,0,0,2) |
| 36.95 | 2.4330 | 57.7 | (1,0,-1,0) |
| 36.95 | 2.4330 | 28.8 | (1,-1,0,0) |
| 41.37 | 2.1825 | 52.4 | (1,0,-1,1) |
| 41.37 | 2.1825 | 26.2 | (1,-1,0,1) |
| 52.82 | 1.7331 | 33.0 | (1,0,-1,2) |
| 52.82 | 1.7331 | 16.5 | (1,-1,0,2) |
| 55.85 | 1.6463 | 7.8 | (0,0,0,3) |
| 66.57 | 1.4047 | 4.9 | (1,1,-2,0) |
| 66.57 | 1.4047 | 4.9 | (1,-2,1,0) |
| 66.57 | 1.4047 | 4.9 | (2,-1,-1,0) |
| 68.86 | 1.3635 | 16.4 | (1,0,-1,3) |
| 68.86 | 1.3635 | 8.2 | (1,-1,0,3) |
| 69.58 | 1.3511 | 6.1 | (1,1,-2,1) |
| 69.58 | 1.3511 | 12.1 | (2,-1,-1,1) |
| 77.27 | 1.2347 | 2.2 | (0,0,0,4) |
| 78.31 | 1.2210 | 5.3 | (1,1,-2,2) |
| 78.31 | 1.2210 | 5.3 | (1,-2,1,2) |
| 78.31 | 1.2210 | 5.3 | (2,-1,-1,2) |
| 78.65 | 1.2165 | 3.1 | (0,2,-2,0) |
| 78.65 | 1.2165 | 3.1 | (2,0,-2,0) |
| 78.65 | 1.2165 | 3.1 | (2,-2,0,0) |
| 81.49 | 1.1812 | 4.0 | (0,2,-2,1) |
Energy Properties
Formation Energy/atom
0.25138
eV/atom
Energy/atom
-23.49620
eV/atom
Energy above Hull
0.2514
eV/atom
Uncorrected Energy
-23.4962
eV/atom
Volume/atom
11.25
ų
c/a Ratio
1.7580
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
207.427
GPa
GVRH
115.236
GPa
Young's Modulus E
291.692
GPa
Poisson Ratio ν
0.266
Pugh Ratio K/G
1.800
Vickers Hardness Est.
13.158
GPa
Ductility
Brittle
Anisotropy
5.955
Lame λ
130.603
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.535
Family
Binary Alloy
Matrix Element
N · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
5.9550
Homogeneous Poisson ν
0.2660
Debye Temperature
484.0
K
Sound Velocity
3,644.1
m/s
Homogeneity
0.2660
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973935
Reference Citation
The crystal structure and related material properties of OsN2 were obtained from the Materials Project database (MP-ID: mp-973935, 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
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Raw CIF Data
# generated using pymatgen
data_OsN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80936590
_cell_length_b 2.80936614
_cell_length_c 4.93885133
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998516
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsN2
_chemical_formula_sum 'Os1 N2'
_cell_volume 33.75773505
_cell_formula_units_Z 1
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 -0.00000000 -0.00000000 0.00000000 1.0
N N1 1 -0.00000000 -0.00000000 0.38380652 1.0
N N2 1 0.00000000 0.00000000 0.61619148 1.0
