V2C

Traditional Materials TRA

MP-ID: mp-1094023 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

V2C

MP-ID

mp-1094023

Elements

Sites

Density

5.4273

g/cm³

Volume

69.69

Å³

Cell a

2.9456

Cell b

2.9456

Cell c

9.2748

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

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
19.14	4.6374	19.1	(0,0,0,2)
35.18	2.5510	24.7	(1,0,-1,0)
35.18	2.5510	12.4	(1,-1,0,0)
36.53	2.4597	96.5	(1,0,-1,1)
36.53	2.4597	48.3	(1,-1,0,1)
38.84	2.3187	45.9	(0,0,0,4)
46.13	1.9676	100.0	(1,0,-1,3)
53.40	1.7158	43.5	(1,0,-1,4)
61.84	1.5003	10.7	(1,0,-1,5)
61.84	1.5003	5.3	(1,-1,0,5)
63.13	1.4728	43.5	(2,-1,-1,0)
66.62	1.4037	1.3	(2,-1,-1,2)
71.34	1.3220	2.5	(1,0,-1,6)
74.37	1.2755	2.5	(2,0,-2,0)
74.37	1.2755	1.3	(2,-2,0,0)
75.19	1.2636	14.2	(2,0,-2,1)
76.65	1.2432	10.7	(1,1,-2,4)
76.65	1.2432	21.3	(2,-1,-1,4)
81.66	1.1791	10.6	(2,0,-2,3)
81.66	1.1791	5.3	(2,-2,0,3)
81.94	1.1758	13.3	(1,0,-1,7)
81.94	1.1758	6.6	(1,-1,0,7)
83.36	1.1594	5.3	(0,0,0,8)
87.23	1.1176	6.2	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

-0.23719

eV/atom

Energy/atom

-12.94599

eV/atom

Energy above Hull

0.3020

eV/atom

Uncorrected Energy

-9.3010

eV/atom

Volume/atom

11.62

Å³

c/a Ratio

3.1487

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3170

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018900

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.333

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.713

Family

Binary Alloy

Matrix Element

V · 0.667

Related Tasks

Related computation task IDs (5)

aaadbvgw aaadoqsy aaadwdee aaaesofm aaafbmcr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1094023

Reference Citation

The crystal structure and related material properties of V2C were obtained from the Materials Project database (MP-ID: mp-1094023, 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…

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Raw CIF Data

# generated using pymatgen
data_V2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94563771
_cell_length_b   2.94563771
_cell_length_c   9.27481400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2C
_chemical_formula_sum   'V4 C2'
_cell_volume   69.69386192
_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
  V  V0  1  0.33333300  0.66666700  0.61739200  1.0
  V  V1  1  0.66666700  0.33333300  0.38260800  1.0
  V  V2  1  0.66666700  0.33333300  0.11739200  1.0
  V  V3  1  0.33333300  0.66666700  0.88260800  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0
  C  C5  1  0.00000000  0.00000000  0.50000000  1.0

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