C

Traditional Materials TRA

MP-ID: mp-632329 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

MP-ID

mp-632329

Elements

Sites

Density

2.0281

g/cm³

Volume

19.67

Å³

Cell a

2.4647

Cell b

2.4647

Cell c

3.7381

α Angle

86.55

β Angle

86.55

γ Angle

60.25

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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 16)

2θ	d (Å)	I	hkl
23.86	3.7291	100.0	(0,0,0,1)
42.26	2.1386	6.9	(1,0,-1,0)
42.51	2.1266	3.3	(1,1,-2,0)
47.73	1.9053	2.1	(1,1,-2,1)
48.31	1.8838	4.1	(1,0,-1,1)
48.85	1.8645	7.7	(0,0,0,2)
49.90	1.8277	3.6	(1,0,-1,-1)
50.89	1.7943	1.6	(1,1,-2,-1)
65.22	1.4304	1.2	(1,0,-1,2)
67.83	1.3816	1.1	(1,0,-1,-2)
76.66	1.2430	1.4	(0,0,0,3)
77.10	1.2370	1.4	(1,-1,0,0)
77.62	1.2301	2.8	(2,1,-3,0)
80.78	1.1898	2.5	(2,1,-3,1)
82.08	1.1741	2.4	(1,-1,0,1)
84.40	1.1477	2.2	(2,1,-3,-1)

Get direct link

Energy Properties

Formation Energy/atom

0.01411

eV/atom

Energy/atom

-9.93312

eV/atom

Energy above Hull

0.0141

eV/atom

Uncorrected Energy

-9.2146

eV/atom

Volume/atom

9.83

Å³

c/a Ratio

1.5167

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

Elastic data not available

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

0.563

Family

Pure Metal

Matrix Element

C · 1.000

Related Tasks

Related computation task IDs (5)

aaadnlib aaadrjcx aaaefito aaaettrn aaafbtqb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-632329

Reference Citation

The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-632329, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46468630
_cell_length_b   2.46468630
_cell_length_c   3.73812947
_cell_angle_alpha   86.54699616
_cell_angle_beta   86.54699616
_cell_angle_gamma   60.25253029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C2
_cell_volume   19.66763956
_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  0.83381700  0.83381700  0.99990500  1.0
  C  C1  1  0.16618300  0.16618300  0.00009500  1.0

Get direct link