V2C

传统材料 TRA 弹性数据 ELA

MP-ID: mp-1008632 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

V2C

MP-ID

mp-1008632

Elements

Sites

Density

5.8393

g/cm³

Volume

32.39

Å³

Cell a

2.8825

Cell b

2.8825

Cell c

4.5011

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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
19.72	4.5011	6.5	(0,0,0,1)
35.98	2.4963	24.7	(1,0,-1,0)
35.98	2.4963	24.7	(1,-1,0,0)
35.98	2.4963	24.7	(0,1,-1,0)
40.06	2.2505	92.3	(0,0,0,2)
41.36	2.1831	58.5	(1,0,-1,1)
41.36	2.1831	100.0	(0,1,-1,1)
41.36	2.1831	58.5	(1,-1,0,-1)
41.36	2.1831	100.0	(1,-1,0,1)
41.36	2.1830	100.0	(1,0,-1,-1)
41.36	2.1830	58.5	(0,1,-1,-1)
54.93	1.6716	17.2	(1,0,-1,2)
54.93	1.6716	11.8	(0,1,-1,2)
54.93	1.6715	17.2	(1,-1,0,-2)
54.93	1.6715	11.8	(1,-1,0,2)
54.93	1.6715	11.7	(1,0,-1,-2)
54.93	1.6715	17.2	(0,1,-1,-2)
64.67	1.4413	28.4	(2,-1,-1,0)
64.67	1.4413	28.4	(1,1,-2,0)
64.67	1.4413	28.4	(1,-2,1,0)
73.67	1.2860	10.8	(0,1,-1,3)
73.67	1.2860	12.7	(1,0,-1,3)
73.67	1.2860	12.7	(1,-1,0,-3)
73.67	1.2860	10.8	(1,-1,0,3)

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Energy Properties

Formation Energy/atom

-0.53739

eV/atom

Energy/atom

-13.24619

eV/atom

Energy above Hull

0.0018

eV/atom

Uncorrected Energy

-13.2462

eV/atom

Volume/atom

10.80

Å³

c/a Ratio

1.5615

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

218.716

GPa

G_VRH

99.627

GPa

Young's Modulus E

259.482

GPa

Poisson Ratio ν

0.302

Pugh Ratio K/G

2.195

Vickers Hardness Est.

8.763

GPa

Ductility

Brittle

Anisotropy

2.523

Lame λ

152.298

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.333

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.5230

Homogeneous Poisson ν

0.3020

Debye Temperature

621.5

Sound Velocity

4,615.1

m/s

Homogeneity

0.3020

Related Tasks

Related computation task IDs (5)

aaacilpb aaadsand aaaegyum aaaeunxn aaafwwxc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008632

Reference Citation

The crystal structure and related material properties of V2C were obtained from the Materials Project database (MP-ID: mp-1008632, 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_V2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88252812
_cell_length_b   2.88249635
_cell_length_c   4.50107601
_cell_angle_alpha   89.99839389
_cell_angle_beta   89.99912874
_cell_angle_gamma   120.00020317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2C
_chemical_formula_sum   'V2 C1'
_cell_volume   32.38831893
_cell_formula_units_Z   1
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  0.66668779  0.33335838  0.74483153  1.0
  V  V1  1  0.33331221  0.66664162  0.25516847  1.0
  C  C2  1  0.00000000  -0.00000000  -0.00000000  1.0

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