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C

Elasticity Data ELA

MP-ID: mp-611426 · Space group: P6_3/mmc (#194)

Basic Information

Formula
C
MP-ID
mp-611426
Elements
1
Sites
8
Density
3.5316
g/cm³
Volume
45.18
ų
Cell a
2.5100
Å
Cell b
2.5100
Å
Cell c
8.2803
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
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 16)
2θd (Å)Ihkl
41.54 2.1738 13.9 (0,1,-1,0)
41.54 2.1738 27.8 (1,0,-1,0)
43.02 2.1025 50.0 (0,1,-1,1)
43.02 2.1025 100.0 (1,0,-1,1)
43.73 2.0701 90.7 (0,0,0,4)
47.23 1.9246 22.5 (0,1,-1,2)
47.23 1.9246 45.0 (1,0,-1,2)
53.67 1.7077 1.3 (0,1,-1,3)
53.67 1.7077 2.6 (1,0,-1,3)
61.90 1.4991 2.5 (0,1,-1,4)
61.90 1.4991 5.0 (1,0,-1,4)
71.64 1.3173 29.2 (1,0,-1,5)
75.80 1.2550 44.8 (1,1,-2,0)
75.80 1.2550 22.4 (2,-1,-1,0)
82.86 1.1651 17.1 (0,1,-1,6)
82.86 1.1651 34.2 (1,0,-1,6)
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Energy Properties

Formation Energy/atom
0.12259
eV/atom
Energy/atom
-9.82465
eV/atom
Energy above Hull
0.1226
eV/atom
Uncorrected Energy
-9.8247
eV/atom
Volume/atom
5.65
ų
c/a Ratio
3.2989

Electronic Properties

Metallic
Non-metal
Band Gap
4.521
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
435.557
GPa
GVRH
523.699
GPa
Young's Modulus E
1,121.580
GPa
Poisson Ratio ν
0.071
Pugh Ratio K/G
0.832
Vickers Hardness Est.
93.680
GPa
Ductility
Ductile
Anisotropy
0.037
Lame λ
86.424
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
0.0370
Homogeneous Poisson ν
0.0710
Debye Temperature
2,219.4
K
Sound Velocity
13,278.4
m/s
Homogeneity
0.0710

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-611426
Reference Citation

The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-611426, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51003140
_cell_length_b   2.51003199
_cell_length_c   8.28026261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C8
_cell_volume   45.17864359
_cell_formula_units_Z   8
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  0.59291292  1.0
  C  C1  1  0.33333300  0.66666700  0.34446448  1.0
  C  C2  1  -0.00000000  -0.00000000  0.40708708  1.0
  C  C3  1  0.66666700  0.33333300  0.65553552  1.0
  C  C4  1  0.00000000  0.00000000  0.90708708  1.0
  C  C5  1  0.33333300  0.66666700  0.15553552  1.0
  C  C6  1  0.00000000  0.00000000  0.09291292  1.0
  C  C7  1  0.66666700  0.33333300  0.84446448  1.0
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