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Co3WO8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-753391 · Space group: P6_3mc (#186)

Basic Information

Formula
Co3WO8
MP-ID
mp-753391
Elements
3
Sites
24
Density
6.0934
g/cm³
Volume
266.32
ų
Cell a
5.7870
Å
Cell b
5.7872
Å
Cell c
9.1825
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.70 5.0118 36.4 (1,-1,0,0)
17.70 5.0116 18.2 (1,0,-1,0)
19.33 4.5913 23.9 (0,0,0,2)
20.19 4.3993 99.8 (0,1,-1,1)
20.19 4.3993 99.8 (1,-1,0,-1)
20.19 4.3991 100.0 (1,-1,0,1)
20.19 4.3991 100.0 (0,1,-1,-1)
20.19 4.3991 99.9 (1,0,-1,1)
20.19 4.3991 99.9 (1,0,-1,-1)
26.32 3.3855 29.2 (0,1,-1,2)
26.32 3.3855 29.2 (1,-1,0,-2)
26.33 3.3854 29.3 (1,0,-1,2)
26.33 3.3854 29.3 (1,0,-1,-2)
26.33 3.3854 29.4 (1,-1,0,2)
26.33 3.3854 29.4 (0,1,-1,-2)
30.90 2.8936 18.5 (1,-2,1,0)
30.90 2.8935 18.5 (2,-1,-1,0)
30.90 2.8935 18.5 (1,1,-2,0)
34.33 2.6123 33.9 (0,1,-1,3)
34.33 2.6123 33.9 (1,-1,0,-3)
34.33 2.6122 33.9 (1,0,-1,3)
34.33 2.6122 33.9 (1,0,-1,-3)
34.33 2.6122 33.8 (1,-1,0,3)
34.33 2.6122 33.8 (0,1,-1,-3)
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Energy Properties

Formation Energy/atom
-1.40969
eV/atom
Energy/atom
-7.57153
eV/atom
Energy above Hull
0.1012
eV/atom
Uncorrected Energy
-6.3342
eV/atom
Volume/atom
11.10
ų
c/a Ratio
1.5867

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.0009
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.007510
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8240
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8504
J/mol·K
Ω Parameter
12.9300
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
39.212%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6893
smaller = more stable mixing
VEC
5.417
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.417
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7500
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.573
Family
O-rich Multi-Component
Matrix Element
O · 0.667

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-753391
Reference Citation

The crystal structure and related material properties of Co3WO8 were obtained from the Materials Project database (MP-ID: mp-753391, 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_Co3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78699900
_cell_length_b   5.78717613
_cell_length_c   9.18249100
_cell_angle_alpha   89.99704886
_cell_angle_beta   90.00143668
_cell_angle_gamma   120.00103050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3WO8
_chemical_formula_sum   'Co6 W2 O16'
_cell_volume   266.32181393
_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
  Co  Co0  1  0.16743800  0.83259700  0.21272000  1.0
  Co  Co1  1  0.16742800  0.33491800  0.21284400  1.0
  Co  Co2  1  0.66512900  0.83258200  0.21276100  1.0
  Co  Co3  1  0.33487100  0.16745300  0.71276100  1.0
  Co  Co4  1  0.83256200  0.66515900  0.71272000  1.0
  Co  Co5  1  0.83257100  0.16749000  0.71284400  1.0
  W  W6  1  0.33335100  0.66683400  0.49238400  1.0
  W  W7  1  0.66665000  0.33348300  0.99238400  1.0
  O  O8  1  0.16991800  0.83017100  0.59536500  1.0
  O  O9  1  0.04057300  0.52005000  0.33965800  1.0
  O  O10  1  0.33330900  0.66661800  0.11313400  1.0
  O  O11  1  0.00000200  0.00007000  0.30877000  1.0
  O  O12  1  0.99999800  0.00006800  0.80877000  1.0
  O  O13  1  0.16976700  0.33970100  0.59544900  1.0
  O  O14  1  0.47978700  0.95941300  0.33976300  1.0
  O  O15  1  0.47953000  0.52014100  0.33959600  1.0
  O  O16  1  0.33970000  0.16997100  0.09541500  1.0
  O  O17  1  0.66030000  0.83027100  0.59541500  1.0
  O  O18  1  0.52021300  0.47962600  0.83976300  1.0
  O  O19  1  0.52047000  0.04061100  0.83959600  1.0
  O  O20  1  0.66669100  0.33330900  0.61313500  1.0
  O  O21  1  0.83008200  0.66025300  0.09536500  1.0
  O  O22  1  0.95942700  0.47947700  0.83965800  1.0
  O  O23  1  0.83023300  0.16993400  0.09544800  1.0
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