C
Elasticity Data ELAMP-ID: mp-66 · Space group: Fd-3m (#227)
Basic Information
Formula
C
MP-ID
mp-66
Elements
1
Sites
2
Density
3.5342
g/cm³
Volume
11.29
ų
Cell a
2.5178
Å
Cell b
2.5178
Å
Cell c
2.5178
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fd-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 3)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 44.05 | 2.0558 | 100.0 | (1,0,0) |
| 75.52 | 1.2589 | 12.8 | (2,1,1) |
| 75.52 | 1.2589 | 25.6 | (1,-1,0) |
Energy Properties
Formation Energy/atom
0.11226
eV/atom
Energy/atom
-9.83497
eV/atom
Energy above Hull
0.1123
eV/atom
Uncorrected Energy
-9.8350
eV/atom
Volume/atom
5.64
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
4.114
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
435.156
GPa
GVRH
519.951
GPa
Young's Modulus E
1,115.546
GPa
Poisson Ratio ν
0.073
Pugh Ratio K/G
0.837
Vickers Hardness Est.
92.572
GPa
Ductility
Ductile
Anisotropy
0.044
Lame λ
88.522
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 1.000
Element Family
Metalloid-Nonmetal
Solute Fraction
0.000
Interstitial Fraction
1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0440
Homogeneous Poisson ν
0.0730
Debye Temperature
2,211.5
K
Sound Velocity
13,228.2
m/s
Homogeneity
0.0730
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-66
Reference Citation
The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-66, 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_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51782717
_cell_length_b 2.51782691
_cell_length_c 2.51782692
_cell_angle_alpha 59.99999991
_cell_angle_beta 60.00000324
_cell_angle_gamma 59.99999883
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C2
_cell_volume 11.28658789
_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
C C0 1 0.87500000 0.87500000 0.87500000 1.0
C C1 1 0.12500000 0.12500000 0.12500000 1.0
