Basic Information
Formula
OsC2
MP-ID
mp-1018850
Elements
2
Sites
6
Density
12.4120
g/cm³
Volume
57.33
ų
Cell a
2.8776
Å
Cell b
2.8776
Å
Cell c
7.9943
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.24 | 3.9972 | 100.0 | (0,0,0,2) |
| 36.04 | 2.4921 | 15.0 | (1,0,-1,0) |
| 37.81 | 2.3791 | 43.8 | (1,-1,0,1) |
| 37.81 | 2.3791 | 87.7 | (1,0,-1,1) |
| 42.76 | 2.1147 | 12.3 | (1,-1,0,2) |
| 42.76 | 2.1147 | 24.7 | (1,0,-1,2) |
| 45.38 | 1.9986 | 15.5 | (0,0,0,4) |
| 50.12 | 1.8201 | 59.5 | (1,0,-1,3) |
| 59.27 | 1.5591 | 14.8 | (1,0,-1,4) |
| 64.80 | 1.4388 | 14.5 | (2,-1,-1,0) |
| 64.80 | 1.4388 | 7.2 | (1,1,-2,0) |
| 69.43 | 1.3538 | 18.8 | (2,-1,-1,2) |
| 69.43 | 1.3538 | 9.4 | (1,1,-2,2) |
| 69.90 | 1.3457 | 7.4 | (1,-1,0,5) |
| 69.90 | 1.3457 | 14.8 | (1,0,-1,5) |
| 70.70 | 1.3324 | 5.6 | (0,0,0,6) |
| 76.44 | 1.2460 | 1.4 | (2,0,-2,0) |
| 77.54 | 1.2312 | 5.6 | (2,-2,0,1) |
| 77.54 | 1.2312 | 11.1 | (2,0,-2,1) |
| 80.79 | 1.1896 | 1.9 | (2,-2,0,2) |
| 80.79 | 1.1896 | 3.8 | (2,0,-2,2) |
| 82.01 | 1.1750 | 3.5 | (1,0,-1,6) |
| 82.63 | 1.1677 | 17.3 | (2,-1,-1,4) |
| 86.16 | 1.1287 | 13.1 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.57976
eV/atom
Energy/atom
-23.71348
eV/atom
Energy above Hull
0.5798
eV/atom
Uncorrected Energy
-9.3151
eV/atom
Volume/atom
9.55
ų
c/a Ratio
2.7781
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
KVRH
361.737
GPa
GVRH
206.455
GPa
Young's Modulus E
520.368
GPa
Poisson Ratio ν
0.260
Pugh Ratio K/G
1.752
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.689
Lame λ
224.100
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.503
Family
Binary Alloy
Matrix Element
C · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018850
Reference Citation
The crystal structure and related material properties of OsC2 were obtained from the Materials Project database (MP-ID: mp-1018850, 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_OsC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87757024
_cell_length_b 2.87757024
_cell_length_c 7.99429400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000555
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsC2
_chemical_formula_sum 'Os2 C4'
_cell_volume 57.32744554
_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 0.66666700 0.33333300 0.25000000 1.0
Os Os1 1 0.33333300 0.66666700 0.75000000 1.0
C C2 1 0.00000000 0.00000000 0.41055000 1.0
C C3 1 0.00000000 0.00000000 0.58945000 1.0
C C4 1 0.00000000 0.00000000 0.91055000 1.0
C C5 1 0.00000000 0.00000000 0.08945000 1.0
