Navigation

HEAS Data Platform · Materials Science Database

Li4V3Co3(WO8)2

High-Entropy Materials HEA

MP-ID: mp-757526 · Space group: Cm (#8)

Basic Information

Formula
Li4V3Co3(WO8)2
MP-ID
mp-757526
Elements
5
Sites
28
Density
5.3664
g/cm³
Volume
303.57
ų
Cell a
5.9749
Å
Cell b
5.9749
Å
Cell c
9.7738
Å
α Angle
89.56
°
β Angle
89.56
°
γ Angle
60.47
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.06 5.1986 23.0 (1,0,-1,0)
17.18 5.1619 11.2 (1,1,-2,0)
18.15 4.8867 6.6 (0,0,0,2)
19.30 4.5983 97.4 (1,0,-1,1)
19.38 4.5813 47.0 (1,1,-2,1)
19.38 4.5812 100.0 (1,0,-1,-1)
19.52 4.5477 51.7 (1,1,-2,-1)
24.95 3.5686 32.4 (1,0,-1,2)
24.98 3.5646 14.7 (1,1,-2,2)
25.07 3.5526 26.4 (1,0,-1,-2)
25.21 3.5330 9.0 (1,1,-2,-2)
29.69 3.0086 12.3 (1,-1,0,0)
29.91 2.9872 23.8 (2,1,-3,0)
32.36 2.7662 20.3 (1,1,-2,3)
32.37 2.7661 34.3 (1,0,-1,3)
32.50 2.7550 33.2 (1,0,-1,-3)
32.63 2.7440 18.2 (1,1,-2,-3)
34.51 2.5993 16.3 (2,0,-2,0)
34.76 2.5810 10.1 (2,2,-4,0)
35.02 2.5619 43.8 (1,-1,0,2)
35.09 2.5576 41.9 (2,1,-3,2)
35.34 2.5400 44.2 (2,1,-3,-2)
35.70 2.5148 24.7 (2,0,-2,1)
35.79 2.5092 24.3 (2,0,-2,-1)
Get direct link

Energy Properties

Formation Energy/atom
-1.93929
eV/atom
Energy/atom
-7.70256
eV/atom
Energy above Hull
0.2725
eV/atom
Uncorrected Energy
-6.6353
eV/atom
Volume/atom
10.84
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.2273
μB
Mag. Ordering
FiM
Mag. Sites
7
Magnetization/Volume
0.004040
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2649
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.5164
J/mol·K
Ω Parameter
1.4915
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
42.163%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9675
smaller = more stable mixing
VEC
4.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.523
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7859
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-757526
Reference Citation

The crystal structure and related material properties of Li4V3Co3(WO8)2 were obtained from the Materials Project database (MP-ID: mp-757526, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Li4V3Co3(WO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97486154
_cell_length_b   5.97486154
_cell_length_c   9.77378207
_cell_angle_alpha   89.55830605
_cell_angle_beta   89.55830605
_cell_angle_gamma   60.46841433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4V3Co3(WO8)2
_chemical_formula_sum   'Li4 V3 Co3 W2 O16'
_cell_volume   303.57240222
_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
  Li  Li0  1  0.66744300  0.66744300  0.90473000  1.0
  Li  Li1  1  0.99722900  0.99722900  0.98820100  1.0
  Li  Li2  1  0.99788900  0.99788900  0.48602200  1.0
  Li  Li3  1  0.33654600  0.33654600  0.40542600  1.0
  V  V4  1  0.82351000  0.82351000  0.22502700  1.0
  V  V5  1  0.65535800  0.16443700  0.71770200  1.0
  V  V6  1  0.16443700  0.65535800  0.71770200  1.0
  Co  Co7  1  0.83037300  0.34167400  0.21128300  1.0
  Co  Co8  1  0.34167400  0.83037300  0.21128300  1.0
  Co  Co9  1  0.17112500  0.17112500  0.71138000  1.0
  W  W10  1  0.66062700  0.66062700  0.49001300  1.0
  W  W11  1  0.33247800  0.33247800  0.98991000  1.0
  O  O12  1  0.82336000  0.34188700  0.58600700  1.0
  O  O13  1  0.52360800  0.52360800  0.35296500  1.0
  O  O14  1  0.68386000  0.68386000  0.10884200  1.0
  O  O15  1  0.98998100  0.98998100  0.29604700  1.0
  O  O16  1  0.99863600  0.99863600  0.79947000  1.0
  O  O17  1  0.34188700  0.82336000  0.58600700  1.0
  O  O18  1  0.96155800  0.53460900  0.35285000  1.0
  O  O19  1  0.53460900  0.96155800  0.35285000  1.0
  O  O20  1  0.16947000  0.16947000  0.08240200  1.0
  O  O21  1  0.82252600  0.82252600  0.59240600  1.0
  O  O22  1  0.48757600  0.04086500  0.85087100  1.0
  O  O23  1  0.04086500  0.48757600  0.85087100  1.0
  O  O24  1  0.34066400  0.34066400  0.60702300  1.0
  O  O25  1  0.64931400  0.16909600  0.08947800  1.0
  O  O26  1  0.47959200  0.47959200  0.85158800  1.0
  O  O27  1  0.16909600  0.64931400  0.08947800  1.0
Get direct link