Basic Information
Formula
C
MP-ID
mp-998866
Elements
1
Sites
1
Density
3.5550
g/cm³
Volume
5.61
ų
Cell a
1.7769
Å
Cell b
1.7769
Å
Cell c
1.7769
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 2)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 51.43 | 1.7769 | 100.0 | (1,0,0) |
| 75.70 | 1.2565 | 47.4 | (1,1,0) |
Energy Properties
Formation Energy/atom
2.75667
eV/atom
Energy/atom
-7.19056
eV/atom
Energy above Hull
2.7567
eV/atom
Uncorrected Energy
-6.4720
eV/atom
Volume/atom
5.61
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
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
355.313
GPa
GVRH
470.461
GPa
Young's Modulus E
979.203
GPa
Poisson Ratio ν
0.041
Pugh Ratio K/G
0.755
Vickers Hardness Est.
98.647
GPa
Ductility
Ductile
Anisotropy
0.000
Lame λ
41.672
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 1.000
Element Family
Metalloid-Nonmetal
Solute Fraction
0.000
Interstitial Fraction
1.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0000
Homogeneous Poisson ν
0.0410
Debye Temperature
2,096.0
K
Sound Velocity
12,512.7
m/s
Homogeneity
0.0410
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-998866
Reference Citation
The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-998866, 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 1.77689283
_cell_length_b 1.77689283
_cell_length_c 1.77689283
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C1
_cell_volume 5.61026925
_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
C C0 1 -0.00000000 -0.00000000 -0.00000000 1.0
