C

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-937760 · Space group: Fmmm (#69)

Materials Project API

Basic Information

Formula

MP-ID

mp-937760

Elements

Sites

Density

2.1798

g/cm³

Volume

36.60

Å³

Cell a

2.4554

Cell b

2.4554

Cell c

7.0076

α Angle

90.00

β Angle

90.00

γ Angle

119.97

Space Group

Fmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
25.42	3.5038	100.0	(0,0,0,2)
42.52	2.1261	4.1	(1,-1,0,0)
44.52	2.0353	13.6	(1,0,-1,1)
50.19	1.8176	4.2	(1,-1,0,2)
52.21	1.7519	7.1	(0,0,0,4)
58.71	1.5727	4.5	(1,0,-1,3)
69.53	1.3520	1.2	(1,-1,0,4)
77.76	1.2282	1.7	(1,1,-2,0)
79.21	1.2093	6.3	(2,-1,-1,1)
82.41	1.1703	1.4	(1,0,-1,5)
82.61	1.1679	1.4	(0,0,0,6)
83.38	1.1591	2.8	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

0.00606

eV/atom

Energy/atom

-9.94118

eV/atom

Energy above Hull

0.0061

eV/atom

Uncorrected Energy

-9.2226

eV/atom

Volume/atom

9.15

Å³

c/a Ratio

2.8540

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

118.816

GPa

G_VRH

91.861

GPa

Young's Modulus E

219.115

GPa

Poisson Ratio ν

0.193

Pugh Ratio K/G

1.293

Vickers Hardness Est.

17.832

GPa

Ductility

Ductile

Anisotropy

395.312

Lame λ

57.575

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

1.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.569

Family

Pure Metal

Matrix Element

C · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

395.3120

Homogeneous Poisson ν

0.1930

Debye Temperature

1,019.1

Sound Velocity

7,161.0

m/s

Homogeneity

0.1930

Related Tasks

Related computation task IDs (6)

aaadnsfj aaadrirg aaaecrpy aaaesnin aaafcnbe aaahiktx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-937760

Reference Citation

The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-937760, 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   2.45534905
_cell_length_b   2.45534905
_cell_length_c   7.00760237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97116551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C4
_cell_volume   36.59760567
_cell_formula_units_Z   4
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  0.58336132  0.41663868  0.24656030  1.0
  C  C1  1  0.41663868  0.58336132  0.75343970  1.0
  C  C2  1  0.91663868  0.08336132  0.24656030  1.0
  C  C3  1  0.08336132  0.91663868  0.75343970  1.0

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