Na7(WO3)13

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-761117 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Na7(WO3)13

MP-ID

mp-761117

Elements

Sites

Density

6.6879

g/cm³

Volume

788.28

Å³

Cell a

5.5504

Cell b

9.6335

Cell c

16.1713

α Angle

101.35

β Angle

99.79

γ Angle

106.65

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
22.59	3.9365	100.0	(1,1,0)
22.64	3.9270	99.3	(1,-2,-1)
22.67	3.9225	99.1	(0,1,-4)
32.14	2.7852	37.6	(0,3,1)
32.20	2.7799	37.4	(1,0,4)
32.23	2.7772	37.3	(1,2,-4)
32.24	2.7762	37.3	(1,-3,3)
32.26	2.7752	37.3	(2,-1,-1)
32.27	2.7743	37.2	(1,-1,-5)
39.69	2.2711	9.8	(0,2,5)
39.69	2.2707	9.8	(0,4,-3)
39.77	2.2668	9.7	(2,-2,3)
39.81	2.2643	9.7	(2,0,-5)
46.12	1.9683	25.3	(2,2,0)
46.24	1.9635	25.1	(2,-4,-2)
46.29	1.9612	25.1	(0,2,-8)
51.89	1.7621	10.5	(1,4,1)
51.96	1.7599	10.5	(2,1,4)
51.97	1.7596	10.5	(1,-5,-2)
52.00	1.7585	10.5	(2,3,-4)
52.05	1.7571	10.4	(3,0,-1)
52.07	1.7563	10.4	(2,-5,2)
52.08	1.7561	10.4	(1,-1,8)
52.10	1.7553	10.4	(2,-3,-6)

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Energy Properties

Formation Energy/atom

-2.18553

eV/atom

Energy/atom

-8.47059

eV/atom

Energy above Hull

0.0058

eV/atom

Uncorrected Energy

-7.0386

eV/atom

Volume/atom

13.36

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.7959

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.661

Element Family

Metalloid-Nonmetal

Solute Fraction

0.339

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8598

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1486

J/mol·K

Ω Parameter

2.7093

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.923%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8470

smaller = more stable mixing

VEC

4.085

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.360

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7827

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.594

Family

O-rich Multi-Component

Matrix Element

O · 0.661

Related Tasks

Related computation task IDs (1)

aaaedmto

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-761117

Reference Citation

The crystal structure and related material properties of Na7(WO3)13 were obtained from the Materials Project database (MP-ID: mp-761117, 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

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Raw CIF Data

# generated using pymatgen
data_Na7(WO3)13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55038900
_cell_length_b   9.63349714
_cell_length_c   16.17129157
_cell_angle_alpha   101.35055922
_cell_angle_beta   99.79129737
_cell_angle_gamma   106.64631594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na7(WO3)13
_chemical_formula_sum   'Na7 W13 O39'
_cell_volume   788.28070969
_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
  Na  Na0  1  0.84557400  0.15157000  0.53618100  1.0
  Na  Na1  1  0.69624500  0.30906500  0.08057000  1.0
  Na  Na2  1  0.46109300  0.53820400  0.38457300  1.0
  Na  Na3  1  0.61367600  0.38395700  0.84429400  1.0
  Na  Na4  1  0.22893600  0.76894700  0.68997200  1.0
  Na  Na5  1  0.07539500  0.92313400  0.23111700  1.0
  Na  Na6  1  0.30941900  0.69324500  0.92459000  1.0
  W  W7  1  0.30926600  0.19144900  0.42243400  1.0
  W  W8  1  0.92444700  0.57590600  0.26935600  1.0
  W  W9  1  0.38293100  0.11351900  0.65344100  1.0
  W  W10  1  0.46229100  0.03886200  0.88374000  1.0
  W  W11  1  0.84675100  0.65632700  0.04051500  1.0
  W  W12  1  0.23110800  0.27102700  0.19335900  1.0
  W  W13  1  0.77139000  0.73241500  0.80764100  1.0
  W  W14  1  0.07324000  0.41939300  0.72824700  1.0
  W  W15  1  0.69066900  0.80828500  0.57638300  1.0
  W  W16  1  0.61547700  0.88186400  0.34500500  1.0
  W  W17  1  0.15297600  0.34448400  0.96218500  1.0
  W  W18  1  0.53661200  0.96427000  0.11507400  1.0
  W  W19  1  0.00050200  0.50041900  0.49966200  1.0
  O  O20  1  0.89021200  0.10913800  0.15361400  1.0
  O  O21  1  0.96214700  0.04229100  0.38789300  1.0
  O  O22  1  0.38985600  0.11018100  0.15362900  1.0
  O  O23  1  0.46410800  0.04050600  0.38709500  1.0
  O  O24  1  0.26223400  0.22657700  0.31009000  1.0
  O  O25  1  0.34130200  0.15292600  0.53939700  1.0
  O  O26  1  0.42024900  0.07691900  0.76549000  1.0
  O  O27  1  0.73707700  0.27544900  0.69409500  1.0
  O  O28  1  0.50793100  0.00004700  0.00246000  1.0
  O  O29  1  0.56701400  0.41402100  0.22887900  1.0
  O  O30  1  0.18773600  0.30619300  0.07365900  1.0
  O  O31  1  0.88450600  0.61639000  0.15720900  1.0
  O  O32  1  0.64092500  0.34261100  0.46195700  1.0
  O  O33  1  0.81166000  0.20187000  0.92306700  1.0
  O  O34  1  0.95757000  0.54085400  0.38255800  1.0
  O  O35  1  0.92573800  0.57948400  0.77152100  1.0
  O  O36  1  0.77348200  0.73922400  0.30964400  1.0
  O  O37  1  0.31483400  0.19521000  0.92204400  1.0
  O  O38  1  0.84763400  0.65063000  0.53788400  1.0
  O  O39  1  0.14691400  0.34485500  0.46310300  1.0
  O  O40  1  0.23264200  0.27597600  0.69481600  1.0
  O  O41  1  0.69540000  0.80608600  0.07691200  1.0
  O  O42  1  0.06830600  0.41823300  0.22915000  1.0
  O  O43  1  0.04257900  0.46481100  0.61925500  1.0
  O  O44  1  0.72729200  0.76642000  0.69142900  1.0
  O  O45  1  0.65869000  0.84762800  0.46141000  1.0
  O  O46  1  0.58880200  0.92756500  0.23301200  1.0
  O  O47  1  0.11956500  0.39230400  0.84733200  1.0
  O  O48  1  0.41998800  0.58316300  0.77181900  1.0
  O  O49  1  0.49338600  0.49434000  0.99657000  1.0
  O  O50  1  0.79972900  0.68926800  0.91939100  1.0
  O  O51  1  0.27936800  0.73949500  0.30938300  1.0
  O  O52  1  0.20719900  0.80851800  0.07985600  1.0
  O  O53  1  0.35723200  0.65332600  0.53648100  1.0
  O  O54  1  0.53838600  0.95567800  0.61300700  1.0
  O  O55  1  0.99499000  0.50077500  0.99776800  1.0
  O  O56  1  0.60630800  0.88304800  0.84429300  1.0
  O  O57  1  0.03044000  0.95299200  0.61330900  1.0
  O  O58  1  0.10933600  0.87789000  0.84348400  1.0

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