VGe2

Traditional Materials TRA

MP-ID: mp-1084800 · Space group: P6_222 (#180)

Materials Project API

Basic Information

Formula

VGe2

MP-ID

mp-1084800

Elements

Sites

Density

7.5212

g/cm³

Volume

129.97

Å³

Cell a

4.7742

Cell b

4.7742

Cell c

6.5840

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_222

Point Group

622

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
25.44	3.5015	4.6	(1,-1,0,1)
25.44	3.5015	4.6	(1,0,-1,1)
25.44	3.5014	4.6	(0,1,-1,1)
34.84	2.5754	2.2	(1,-1,0,2)
34.84	2.5754	2.2	(1,0,-1,2)
34.84	2.5754	2.2	(0,1,-1,2)
37.68	2.3871	14.3	(2,-1,-1,0)
37.68	2.3871	14.3	(1,-2,1,0)
37.68	2.3871	14.3	(1,1,-2,0)
40.18	2.2442	95.1	(2,-1,-1,1)
40.18	2.2442	95.1	(1,-2,1,1)
40.18	2.2442	95.1	(1,1,-2,1)
41.13	2.1947	100.0	(0,0,0,3)
43.79	2.0673	1.4	(2,-2,0,0)
43.79	2.0673	1.4	(2,0,-2,0)
43.79	2.0673	1.4	(0,2,-2,0)
47.02	1.9325	59.6	(2,-1,-1,2)
47.02	1.9325	59.6	(1,-2,1,2)
47.02	1.9325	59.6	(1,1,-2,2)
57.00	1.6156	8.2	(2,-1,-1,3)
57.00	1.6156	8.2	(1,-2,1,3)
57.00	1.6156	8.2	(1,1,-2,3)
61.63	1.5048	1.2	(2,-2,0,3)
61.63	1.5048	1.2	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

-0.16853

eV/atom

Energy/atom

-6.27852

eV/atom

Energy above Hull

0.0326

eV/atom

Uncorrected Energy

-14.0790

eV/atom

Volume/atom

14.44

Å³

c/a Ratio

1.3791

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0668

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.008210

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.681

Family

Binary Alloy

Matrix Element

Ge · 0.667

Related Tasks

Related computation task IDs (5)

aaadneet aaadsyri aaaekvwx aaaetzme aaafixxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1084800

Reference Citation

The crystal structure and related material properties of VGe2 were obtained from the Materials Project database (MP-ID: mp-1084800, 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_VGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77424348
_cell_length_b   4.77421886
_cell_length_c   6.58402461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00032688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2
_chemical_formula_sum   'V3 Ge6'
_cell_volume   129.96533609
_cell_formula_units_Z   3
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  0.50000000  0.50000000  0.33332773  1.0
  V  V1  1  0.50000000  0.00000000  0.00000505  1.0
  V  V2  1  0.00000000  0.50000000  0.66666810  1.0
  Ge  Ge3  1  0.16606699  0.83394532  0.33332912  1.0
  Ge  Ge4  1  0.16606052  0.33212820  -0.00000152  1.0
  Ge  Ge5  1  0.66787017  0.83394542  0.66667246  1.0
  Ge  Ge6  1  0.83393301  0.16605468  0.33332912  1.0
  Ge  Ge7  1  0.83393948  0.66787180  -0.00000152  1.0
  Ge  Ge8  1  0.33212983  0.16605458  0.66667246  1.0

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