Basic Information
Formula
OsC
MP-ID
mp-999308
Elements
2
Sites
4
Density
16.4237
g/cm³
Volume
40.90
ų
Cell a
2.9287
Å
Cell b
2.9287
Å
Cell c
5.5054
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.53 | 2.7527 | 58.6 | (0,0,0,2) |
| 35.39 | 2.5364 | 50.0 | (1,-1,0,0) |
| 35.39 | 2.5364 | 100.0 | (1,0,-1,0) |
| 48.82 | 1.8653 | 45.3 | (1,-1,0,2) |
| 48.82 | 1.8653 | 90.6 | (1,0,-1,2) |
| 63.53 | 1.4644 | 21.5 | (2,-1,-1,0) |
| 63.53 | 1.4644 | 10.8 | (1,1,-2,0) |
| 68.13 | 1.3764 | 8.7 | (0,0,0,4) |
| 73.21 | 1.2928 | 24.2 | (2,-1,-1,2) |
| 73.21 | 1.2928 | 12.1 | (1,1,-2,2) |
| 74.88 | 1.2682 | 5.9 | (2,-2,0,0) |
| 74.88 | 1.2682 | 11.9 | (2,0,-2,0) |
| 79.18 | 1.2097 | 30.8 | (1,0,-1,4) |
| 84.03 | 1.1518 | 9.7 | (2,-2,0,2) |
| 84.03 | 1.1518 | 19.4 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
0.92777
eV/atom
Energy/atom
-30.53846
eV/atom
Energy above Hull
0.9278
eV/atom
Uncorrected Energy
-9.3002
eV/atom
Volume/atom
10.22
ų
c/a Ratio
1.8798
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
374.861
GPa
GVRH
95.289
GPa
Young's Modulus E
263.537
GPa
Poisson Ratio ν
0.383
Pugh Ratio K/G
3.934
Vickers Hardness Est.
2.792
GPa
Ductility
Brittle
Anisotropy
2.684
Lame λ
311.335
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.6840
Homogeneous Poisson ν
0.3830
Debye Temperature
373.1
K
Sound Velocity
2,720.3
m/s
Homogeneity
0.3830
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999308
Reference Citation
The crystal structure and related material properties of OsC were obtained from the Materials Project database (MP-ID: mp-999308, 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_OsC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92872093
_cell_length_b 2.92872093
_cell_length_c 5.50542200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00002112
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsC
_chemical_formula_sum 'Os2 C2'
_cell_volume 40.89565199
_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 0.00000000 0.00000000 0.50000000 1.0
Os Os1 1 0.00000000 0.00000000 0.00000000 1.0
C C2 1 0.33333300 0.66666700 0.25000000 1.0
C C3 1 0.66666700 0.33333300 0.75000000 1.0
