V6Cu2O15

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-757160 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

V6Cu2O15

MP-ID

mp-757160

Elements

Sites

Density

4.0169

g/cm³

Volume

278.10

Å³

Cell a

3.7023

Cell b

7.8767

Cell c

10.1962

α Angle

105.46

β Angle

90.38

γ Angle

103.35

Space Group

P-1

Point Group

-1

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
9.02	9.8015	4.8	(0,0,1)
12.01	7.3673	7.4	(0,1,0)
12.89	6.8674	1.9	(0,1,-1)
16.93	5.2369	9.2	(0,1,1)
18.10	4.9008	11.5	(0,0,2)
18.78	4.7245	10.0	(0,1,-2)
23.34	3.8112	1.4	(0,2,-1)
24.43	3.6437	14.5	(0,1,2)
24.78	3.5927	20.1	(1,0,0)
24.81	3.5885	15.4	(1,-1,0)
25.78	3.4553	80.8	(1,0,-1)
25.91	3.4389	47.3	(1,-1,1)
25.95	3.4337	7.1	(0,2,-2)
26.63	3.3479	1.8	(0,1,-3)
27.05	3.2967	2.2	(1,0,1)
27.30	3.2672	1.9	(0,0,3)
28.13	3.1724	100.0	(0,2,1)
29.94	2.9843	6.0	(1,-1,2)
30.01	2.9775	5.4	(1,1,-1)
31.19	2.8677	73.9	(0,2,-3)
31.80	2.8138	5.0	(1,-1,-2)
32.57	2.7496	25.0	(1,1,-2)
32.79	2.7313	35.0	(1,-2,2)
32.91	2.7217	7.2	(0,1,3)

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Energy Properties

Formation Energy/atom

-2.12311

eV/atom

Energy/atom

-8.07621

eV/atom

Energy above Hull

0.0587

eV/atom

Uncorrected Energy

-7.1847

eV/atom

Volume/atom

12.09

Å³

c/a Ratio

2.7540

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0010

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.007200

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.652

Element Family

Metalloid-Nonmetal

Solute Fraction

0.348

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8417

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9978

J/mol·K

Ω Parameter

11.1564

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.560%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8328

smaller = more stable mixing

VEC

4.870

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.454

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7661

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.590

Family

O-rich Multi-Component

Matrix Element

O · 0.652

Related Tasks

Related computation task IDs (2)

aaabzfhc aaaegbmi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-757160

Reference Citation

The crystal structure and related material properties of V6Cu2O15 were obtained from the Materials Project database (MP-ID: mp-757160, 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_V6Cu2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70228000
_cell_length_b   7.87674359
_cell_length_c   10.19622921
_cell_angle_alpha   105.45595424
_cell_angle_beta   90.37638414
_cell_angle_gamma   103.35422779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V6Cu2O15
_chemical_formula_sum   'V6 Cu2 O15'
_cell_volume   278.10251864
_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  0.33197400  0.66254100  0.08839500  1.0
  V  V1  1  0.88507800  0.77445400  0.88173200  1.0
  V  V2  1  0.28504700  0.57239500  0.40615300  1.0
  V  V3  1  0.71495300  0.42760500  0.59384700  1.0
  V  V4  1  0.11492200  0.22554600  0.11826800  1.0
  V  V5  1  0.66802600  0.33745900  0.91160500  1.0
  Cu  Cu6  1  0.51740800  0.93902800  0.64566800  1.0
  Cu  Cu7  1  0.48259200  0.06097200  0.35433200  1.0
  O  O8  1  0.43246100  0.86541200  0.20408600  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.40189500  0.80107000  0.46526100  1.0
  O  O11  1  0.81024500  0.62053700  0.03663600  1.0
  O  O12  1  0.89164400  0.81017000  0.72629100  1.0
  O  O13  1  0.25835600  0.51785400  0.22595600  1.0
  O  O14  1  0.36761900  0.73832700  0.91392700  1.0
  O  O15  1  0.75745100  0.51620200  0.42847700  1.0
  O  O16  1  0.24254900  0.48379800  0.57152300  1.0
  O  O17  1  0.63238100  0.26167300  0.08607300  1.0
  O  O18  1  0.74164400  0.48214600  0.77404400  1.0
  O  O19  1  0.10835600  0.18983000  0.27370900  1.0
  O  O20  1  0.18975500  0.37946300  0.96336400  1.0
  O  O21  1  0.59810500  0.19893000  0.53473900  1.0
  O  O22  1  0.56753900  0.13458800  0.79591400  1.0

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