Basic Information
Formula
OsN
MP-ID
mp-999317
Elements
2
Sites
4
Density
15.2998
g/cm³
Volume
44.33
ų
Cell a
2.7887
Å
Cell b
3.7323
Å
Cell c
4.2595
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmn2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.84 | 3.7323 | 59.8 | (0,1,0) |
| 31.88 | 2.8071 | 87.5 | (0,1,1) |
| 38.59 | 2.3331 | 100.0 | (1,0,1) |
| 40.37 | 2.2340 | 41.7 | (1,1,0) |
| 42.44 | 2.1298 | 32.9 | (0,0,2) |
| 45.87 | 1.9784 | 48.2 | (1,1,1) |
| 49.26 | 1.8498 | 22.2 | (0,1,2) |
| 53.62 | 1.7093 | 37.9 | (0,2,1) |
| 59.61 | 1.5509 | 29.5 | (1,2,0) |
| 60.02 | 1.5415 | 33.8 | (1,1,2) |
| 63.88 | 1.4573 | 1.1 | (1,2,1) |
| 67.13 | 1.3943 | 10.6 | (2,0,0) |
| 71.03 | 1.3271 | 10.2 | (0,1,3) |
| 72.35 | 1.3062 | 6.0 | (2,1,0) |
| 75.08 | 1.2653 | 12.9 | (1,0,3) |
| 75.89 | 1.2537 | 24.5 | (1,2,2) |
| 76.25 | 1.2488 | 15.0 | (2,1,1) |
| 76.58 | 1.2441 | 4.3 | (0,3,0) |
| 80.08 | 1.1983 | 10.7 | (1,1,3) |
| 80.41 | 1.1942 | 3.2 | (0,3,1) |
| 82.73 | 1.1666 | 10.2 | (2,0,2) |
| 85.46 | 1.1362 | 2.7 | (1,3,0) |
| 86.04 | 1.1300 | 9.2 | (0,2,3) |
| 87.64 | 1.1134 | 8.8 | (2,1,2) |
Energy Properties
Formation Energy/atom
0.23952
eV/atom
Energy/atom
-30.81747
eV/atom
Energy above Hull
0.2395
eV/atom
Uncorrected Energy
-9.3619
eV/atom
Volume/atom
11.08
ų
c/a Ratio
1.5274
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
319.999
GPa
GVRH
197.237
GPa
Young's Modulus E
490.861
GPa
Poisson Ratio ν
0.244
Pugh Ratio K/G
1.622
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.287
Lame λ
188.508
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
0.465
Family
Binary Alloy
Matrix Element
Os · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999317
Reference Citation
The crystal structure and related material properties of OsN were obtained from the Materials Project database (MP-ID: mp-999317, 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 2.78864700
_cell_length_b 3.73228400
_cell_length_c 4.25949900
_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 44.33296177
_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 0.13726500 0.39482000 1.0
Os Os1 1 0.00000000 0.86273500 0.89482000 1.0
N N2 1 0.50000000 0.65067400 0.19518000 1.0
N N3 1 0.00000000 0.34932600 0.69518000 1.0
