V4OF11

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-799001 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

V4OF11

MP-ID

mp-799001

Elements

Sites

Density

3.2790

g/cm³

Volume

217.13

Å³

Cell a

5.2422

Cell b

5.4539

Cell c

9.1164

α Angle

106.68

β Angle

89.58

γ Angle

118.36

Space Group

Point Group

Crystal System

Triclinic

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
19.54	4.5435	100.0	(0,1,0)
20.57	4.3168	14.4	(1,-1,1)
23.42	3.7982	63.1	(1,0,1)
32.71	2.7375	11.5	(1,1,-1)
32.90	2.7228	21.6	(1,-2,1)
33.99	2.6374	4.2	(1,-1,3)
34.22	2.6204	3.2	(1,0,-3)
38.39	2.3450	5.9	(1,1,1)
38.74	2.3246	6.7	(1,-2,-1)
39.50	2.2814	7.3	(1,-2,3)
39.52	2.2805	6.4	(1,0,3)
39.53	2.2795	9.7	(1,1,-3)
39.54	2.2794	6.3	(2,0,0)
39.67	2.2718	25.3	(0,2,0)
39.87	2.2613	2.2	(2,-2,0)
39.88	2.2605	14.6	(1,-1,-3)
40.07	2.2501	11.5	(2,-1,2)
40.08	2.2499	22.2	(0,1,-4)
40.45	2.2302	2.2	(2,-1,-2)
41.85	2.1584	7.3	(2,-2,2)
41.87	2.1575	1.0	(0,0,4)
41.90	2.1563	1.3	(2,0,-2)
47.89	1.8996	6.9	(0,2,-4)
47.90	1.8991	13.5	(2,0,2)

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Energy Properties

Formation Energy/atom

0.20389

eV/atom

Energy/atom

-3.69260

eV/atom

Energy above Hull

3.3369

eV/atom

Uncorrected Energy

-2.9070

eV/atom

Volume/atom

13.57

Å³

c/a Ratio

1.7390

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.032250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

F · 0.688

Element Family

Metalloid-Nonmetal

Solute Fraction

0.313

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7775

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.4638

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.390%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0064

smaller = more stable mixing

VEC

4.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7077

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.447

Family

F-rich Multi-Component

Matrix Element

F · 0.688

Related Tasks

Related computation task IDs (2)

aaabtlyv aaabwbmn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-799001

Reference Citation

The crystal structure and related material properties of V4OF11 were obtained from the Materials Project database (MP-ID: mp-799001, 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_V4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24219600
_cell_length_b   5.45391984
_cell_length_c   9.11634698
_cell_angle_alpha   106.67793328
_cell_angle_beta   89.57596316
_cell_angle_gamma   118.35888534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4OF11
_chemical_formula_sum   'V4 O1 F11'
_cell_volume   217.12833577
_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  0.24575600  0.00250400  0.75256100  1.0
  V  V1  1  0.49868700  0.00054000  0.50064200  1.0
  V  V2  1  0.75156600  0.00122200  0.24762500  1.0
  V  V3  1  0.00602800  0.00929800  0.98548900  1.0
  O  O4  1  0.07879600  0.07649300  0.84165700  1.0
  F  F5  1  0.07290800  0.89635100  0.42543500  1.0
  F  F6  1  0.01911400  0.49544700  0.87502100  1.0
  F  F7  1  0.47536700  0.50234800  0.62468900  1.0
  F  F8  1  0.57835400  0.89849400  0.92697800  1.0
  F  F9  1  0.57455500  0.09980200  0.32420600  1.0
  F  F10  1  0.42258300  0.89990300  0.67769400  1.0
  F  F11  1  0.42173300  0.10490900  0.07372300  1.0
  F  F12  1  0.52441200  0.49980700  0.37480200  1.0
  F  F13  1  0.97913100  0.50245000  0.12836200  1.0
  F  F14  1  0.92504900  0.90793400  0.16632600  1.0
  F  F15  1  0.92596400  0.10249800  0.57479000  1.0

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