C

Traditional Materials TRA

MP-ID: mp-1018088 · Space group: I4_132 (#214)

Materials Project API

Basic Information

Formula

MP-ID

mp-1018088

Elements

Sites

Density

2.3016

g/cm³

Volume

34.66

Å³

Cell a

3.5576

Cell b

3.5576

Cell c

3.5576

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

I4_132

Point Group

432

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.6802

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 5)

2θ	d (Å)	I	hkl
30.78	2.9048	100.0	(1,0,0)
54.73	1.6771	22.1	(1,1,0)
72.80	1.2991	7.6	(2,1,-1)
81.10	1.1859	7.4	(1,1,1)
89.20	1.0979	9.1	(2,1,0)

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Energy Properties

Formation Energy/atom

1.30608

eV/atom

Energy/atom

-8.64116

eV/atom

Energy above Hull

1.3061

eV/atom

Uncorrected Energy

-7.9226

eV/atom

Volume/atom

8.67

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.4233

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.041060

μB/Å³

Elastic Properties

K_VRH

255.040

GPa

G_VRH

-142.472

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

-1.790

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

3.062

Lame λ

350.021

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

0.373

Family

Pure Metal

Matrix Element

C · 1.000

Related Tasks

Related computation task IDs (6)

aaacinyz aaadiuin aaadrhwt aaadxzaq aaaetson aaafiuae

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018088

Reference Citation

The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-1018088, 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   3.55759401
_cell_length_b   3.55759401
_cell_length_c   3.55759401
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C4
_cell_volume   34.66149299
_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  0.25000000  0.75000000  0.25000000  1.0
  C  C1  1  -0.00000000  0.75000000  0.50000000  1.0
  C  C2  1  0.50000000  0.50000000  0.25000000  1.0
  C  C3  1  0.25000000  -0.00000000  -0.00000000  1.0

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