Basic Information
Formula
OsN
MP-ID
mp-999307
Elements
2
Sites
4
Density
15.1583
g/cm³
Volume
44.75
ų
Cell a
2.6947
Å
Cell b
2.6947
Å
Cell c
6.1624
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mmc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.98 | 3.0812 | 38.5 | (0,0,2) |
| 36.39 | 2.4689 | 100.0 | (1,0,1) |
| 47.73 | 1.9054 | 20.6 | (1,1,0) |
| 56.32 | 1.6336 | 28.9 | (1,0,3) |
| 56.81 | 1.6206 | 31.4 | (1,1,2) |
| 60.05 | 1.5406 | 6.6 | (0,0,4) |
| 69.81 | 1.3473 | 8.4 | (2,0,0) |
| 77.29 | 1.2345 | 10.5 | (2,0,2) |
| 80.11 | 1.1980 | 9.6 | (1,1,4) |
| 81.36 | 1.1827 | 20.4 | (2,1,1) |
| 86.92 | 1.1208 | 8.8 | (1,0,5) |
Energy Properties
Formation Energy/atom
0.44964
eV/atom
Energy/atom
-30.60735
eV/atom
Energy above Hull
0.4496
eV/atom
Uncorrected Energy
-9.1518
eV/atom
Volume/atom
11.19
ų
c/a Ratio
2.2869
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
329.587
GPa
GVRH
170.722
GPa
Young's Modulus E
436.755
GPa
Poisson Ratio ν
0.279
Pugh Ratio K/G
1.931
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.585
Lame λ
215.772
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Os · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999307
Reference Citation
The crystal structure and related material properties of OsN were obtained from the Materials Project database (MP-ID: mp-999307, 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_OsN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.69466700
_cell_length_b 2.69466700
_cell_length_c 6.16241500
_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 'Os2 N2'
_cell_volume 44.74671415
_cell_formula_units_Z 2
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 0.00000000 0.50000000 1.0
Os Os1 1 0.00000000 0.50000000 0.00000000 1.0
N N2 1 0.00000000 0.00000000 0.75000000 1.0
N N3 1 0.00000000 0.00000000 0.25000000 1.0
