V6O13

Traditional Materials TRA

MP-ID: mp-870306 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

V6O13

MP-ID

mp-870306

Elements

Sites

Density

3.7047

g/cm³

Volume

460.46

Å³

Cell a

3.7432

Cell b

10.3004

Cell c

12.1598

α Angle

79.15

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/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 24)

2θ	d (Å)	I	hkl
8.74	10.1163	21.4	(0,1,0)
14.84	5.9712	38.7	(0,0,2)
15.75	5.6267	9.6	(0,1,2)
17.53	5.0581	27.5	(0,2,0)
18.62	4.7647	4.8	(0,1,-2)
20.77	4.2769	2.0	(0,2,2)
24.93	3.5719	100.0	(1,0,1)
25.12	3.5445	5.9	(0,2,-2)
25.98	3.4292	3.3	(1,1,1)
26.43	3.3721	74.3	(0,3,0)
26.94	3.3101	4.3	(1,1,-1)
27.83	3.2059	4.9	(0,3,2)
29.56	3.0221	36.7	(0,1,4)
29.93	2.9856	7.4	(0,0,4)
31.46	2.8433	5.2	(1,2,-1)
31.81	2.8133	3.2	(0,2,4)
32.84	2.7275	1.3	(0,1,-4)
32.84	2.7270	17.5	(1,0,3)
32.90	2.7227	23.4	(1,1,3)
35.17	2.5516	4.3	(1,1,-3)
35.32	2.5411	5.5	(1,2,3)
35.50	2.5291	4.0	(0,4,0)
35.57	2.5240	13.6	(1,3,1)
36.24	2.4789	2.8	(0,3,4)

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Energy Properties

Formation Energy/atom

-2.39345

eV/atom

Energy/atom

-8.64750

eV/atom

Energy above Hull

0.0430

eV/atom

Uncorrected Energy

-7.6406

eV/atom

Volume/atom

12.12

Å³

c/a Ratio

3.2485

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.9994

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.017370

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.684

Element Family

N/A

Solute Fraction

0.316

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.684

Family

Binary Alloy

Matrix Element

O · 0.684

Related Tasks

Related computation task IDs (4)

aaadmdts aaadrfwr aaadzqwn aaaepncn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-870306

Reference Citation

The crystal structure and related material properties of V6O13 were obtained from the Materials Project database (MP-ID: mp-870306, 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_V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74320100
_cell_length_b   10.30036600
_cell_length_c   12.15976556
_cell_angle_alpha   79.15163326
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V6O13
_chemical_formula_sum   'V12 O26'
_cell_volume   460.45735914
_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  0.25000000  0.63485800  0.46341500  1.0
  V  V1  1  0.25000000  0.36527400  0.03625700  1.0
  V  V2  1  0.75000000  0.63472600  0.96374300  1.0
  V  V3  1  0.75000000  0.36514200  0.53658500  1.0
  V  V4  1  0.25000000  0.63614700  0.16273400  1.0
  V  V5  1  0.75000000  0.36385300  0.83726600  1.0
  V  V6  1  0.25000000  0.36394600  0.33698600  1.0
  V  V7  1  0.75000000  0.63605400  0.66301400  1.0
  V  V8  1  0.25000000  0.00164100  0.10295200  1.0
  V  V9  1  0.25000000  0.99917400  0.40023100  1.0
  V  V10  1  0.75000000  0.99835900  0.89704800  1.0
  V  V11  1  0.75000000  0.00082600  0.59976900  1.0
  O  O12  1  0.75000000  0.80213500  0.63688800  1.0
  O  O13  1  0.25000000  0.80205400  0.13563100  1.0
  O  O14  1  0.25000000  0.19786500  0.36311200  1.0
  O  O15  1  0.75000000  0.19794600  0.86436900  1.0
  O  O16  1  0.25000000  0.80162400  0.42626800  1.0
  O  O17  1  0.25000000  0.19807300  0.07235000  1.0
  O  O18  1  0.75000000  0.80192700  0.92765000  1.0
  O  O19  1  0.75000000  0.19837600  0.57373200  1.0
  O  O20  1  0.25000000  0.59104700  0.31012900  1.0
  O  O21  1  0.75000000  0.59102800  0.81050700  1.0
  O  O22  1  0.75000000  0.40895300  0.68987100  1.0
  O  O23  1  0.25000000  0.40897200  0.18949300  1.0
  O  O24  1  0.25000000  0.61541200  0.63018000  1.0
  O  O25  1  0.75000000  0.61475000  0.13014300  1.0
  O  O26  1  0.75000000  0.38458800  0.36982000  1.0
  O  O27  1  0.25000000  0.38525000  0.86985700  1.0
  O  O28  1  0.25000000  0.41036600  0.49650600  1.0
  O  O29  1  0.75000000  0.58963400  0.50349400  1.0
  O  O30  1  0.75000000  0.41060500  0.99654400  1.0
  O  O31  1  0.25000000  0.58939500  0.00345600  1.0
  O  O32  1  0.25000000  0.99964800  0.24571400  1.0
  O  O33  1  0.75000000  0.00035200  0.75428600  1.0
  O  O34  1  0.75000000  0.00047300  0.06648500  1.0
  O  O35  1  0.25000000  0.99959700  0.57166400  1.0
  O  O36  1  0.75000000  0.00040300  0.42833600  1.0
  O  O37  1  0.25000000  0.99952700  0.93351500  1.0

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