Basic Information
Formula
OsC2
MP-ID
mp-1008835
Elements
2
Sites
3
Density
12.4088
g/cm³
Volume
28.67
ų
Cell a
2.8717
Å
Cell b
2.8717
Å
Cell c
4.0146
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.14 | 4.0146 | 100.0 | (0,0,0,1) |
| 36.12 | 2.4870 | 58.8 | (1,0,-1,0) |
| 36.12 | 2.4870 | 29.4 | (1,-1,0,0) |
| 42.77 | 2.1142 | 86.0 | (1,0,-1,1) |
| 42.77 | 2.1142 | 43.0 | (1,-1,0,1) |
| 45.17 | 2.0073 | 15.4 | (0,0,0,2) |
| 59.15 | 1.5620 | 33.8 | (1,0,-1,2) |
| 59.15 | 1.5620 | 16.9 | (1,-1,0,2) |
| 64.95 | 1.4358 | 7.1 | (1,1,-2,0) |
| 64.95 | 1.4358 | 14.2 | (2,-1,-1,0) |
| 69.53 | 1.3520 | 9.2 | (1,1,-2,1) |
| 69.53 | 1.3520 | 18.5 | (2,-1,-1,1) |
| 70.35 | 1.3382 | 5.6 | (0,0,0,3) |
| 76.63 | 1.2435 | 7.0 | (2,0,-2,0) |
| 76.63 | 1.2435 | 3.5 | (2,-2,0,0) |
| 80.94 | 1.1878 | 13.7 | (2,0,-2,1) |
| 80.94 | 1.1878 | 6.8 | (2,-2,0,1) |
| 81.72 | 1.1784 | 12.0 | (1,0,-1,3) |
| 81.72 | 1.1784 | 6.0 | (1,-1,0,3) |
| 82.62 | 1.1678 | 5.7 | (1,1,-2,2) |
| 82.62 | 1.1678 | 11.4 | (2,-1,-1,2) |
Energy Properties
Formation Energy/atom
0.60116
eV/atom
Energy/atom
-23.69208
eV/atom
Energy above Hull
0.6012
eV/atom
Uncorrected Energy
-9.2937
eV/atom
Volume/atom
9.56
ų
c/a Ratio
1.3980
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
357.547
GPa
GVRH
194.292
GPa
Young's Modulus E
493.488
GPa
Poisson Ratio ν
0.270
Pugh Ratio K/G
1.840
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.581
Lame λ
228.019
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-1008835
Reference Citation
The crystal structure and related material properties of OsC2 were obtained from the Materials Project database (MP-ID: mp-1008835, 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 2.87167928
_cell_length_b 2.87167928
_cell_length_c 4.01459500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998341
_symmetry_Int_Tables_number 1
_chemical_formula_structural OsC2
_chemical_formula_sum 'Os1 C2'
_cell_volume 28.67109719
_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 0.66666700 0.33333300 0.50000000 1.0
C C1 1 0.00000000 0.00000000 0.81996600 1.0
C C2 1 0.00000000 0.00000000 0.18003400 1.0
