Sb(WO4)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1047752 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

Sb(WO4)2

MP-ID

mp-1047752

Elements

Sites

Density

6.9631

g/cm³

Volume

294.49

Å³

Cell a

5.8386

Cell b

5.1412

Cell c

10.8906

α Angle

64.27

β Angle

90.00

γ Angle

90.00

Space Group

P2/c

Point Group

2/m

Crystal System

Monoclinic

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
15.17	5.8386	18.9	(1,0,0)
17.68	5.0173	16.3	(1,0,1)
18.08	4.9053	62.5	(0,0,2)
19.16	4.6313	27.4	(0,1,0)
19.84	4.4740	9.4	(0,1,2)
23.06	3.8566	57.0	(1,1,1)
23.69	3.7557	70.4	(1,0,2)
24.53	3.6284	2.2	(1,1,0)
25.08	3.5513	6.0	(1,1,2)
29.00	3.0794	100.0	(1,1,-1)
29.92	2.9863	94.9	(1,1,3)
30.62	2.9193	11.8	(2,0,0)
31.35	2.8532	9.7	(1,0,3)
31.99	2.7980	8.0	(2,0,1)
33.09	2.7075	1.5	(0,1,4)
34.94	2.5683	33.0	(0,2,2)
35.37	2.5380	46.5	(2,1,1)
35.42	2.5340	3.8	(1,1,-2)
35.79	2.5086	6.7	(2,0,2)
36.38	2.4696	1.5	(2,1,0)
36.58	2.4563	2.2	(1,1,4)
36.64	2.4527	20.8	(0,0,4)
38.29	2.3509	1.6	(1,2,2)
38.89	2.3157	14.4	(0,2,0)

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Energy Properties

Formation Energy/atom

-1.95307

eV/atom

Energy/atom

-8.28297

eV/atom

Energy above Hull

0.1418

eV/atom

Uncorrected Energy

-6.9764

eV/atom

Volume/atom

13.39

Å³

c/a Ratio

1.8653

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0124

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.727

Element Family

Metalloid-Nonmetal

Solute Fraction

0.273

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7595

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3149

J/mol·K

Ω Parameter

2.5950

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

43.981%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5325

smaller = more stable mixing

VEC

4.455

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.932

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6914

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.569

Family

O-rich Multi-Component

Matrix Element

O · 0.727

Related Tasks

Related computation task IDs (2)

aaachpyr aaacylmb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047752

Reference Citation

The crystal structure and related material properties of Sb(WO4)2 were obtained from the Materials Project database (MP-ID: mp-1047752, 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_Sb(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83856700
_cell_length_b   5.14118100
_cell_length_c   10.89063142
_cell_angle_alpha   64.26738849
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb(WO4)2
_chemical_formula_sum   'Sb2 W4 O16'
_cell_volume   294.48629304
_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
  Sb  Sb0  1  0.34641700  0.50000000  0.75000000  1.0
  Sb  Sb1  1  0.65358300  0.50000000  0.25000000  1.0
  W  W2  1  0.16785700  0.27189200  0.49225600  1.0
  W  W3  1  0.16785700  0.72810800  0.00774400  1.0
  W  W4  1  0.83214300  0.72810800  0.50774400  1.0
  W  W5  1  0.83214300  0.27189200  0.99225600  1.0
  O  O6  1  0.35765700  0.72318700  0.87230700  1.0
  O  O7  1  0.35765700  0.27681300  0.62769300  1.0
  O  O8  1  0.64234300  0.27681300  0.12769300  1.0
  O  O9  1  0.64234300  0.72318700  0.37230700  1.0
  O  O10  1  0.89070500  0.16460500  0.40180300  1.0
  O  O11  1  0.89070500  0.83539500  0.09819700  1.0
  O  O12  1  0.10929500  0.83539500  0.59819700  1.0
  O  O13  1  0.10929500  0.16460500  0.90180300  1.0
  O  O14  1  0.60910900  0.25638000  0.87444000  1.0
  O  O15  1  0.60910900  0.74362000  0.62556000  1.0
  O  O16  1  0.39089100  0.74362000  0.12556000  1.0
  O  O17  1  0.39089100  0.25638000  0.37444000  1.0
  O  O18  1  0.90268000  0.66045400  0.89163800  1.0
  O  O19  1  0.09732000  0.33954600  0.10836200  1.0
  O  O20  1  0.90268000  0.33954600  0.60836200  1.0
  O  O21  1  0.09732000  0.66045400  0.39163800  1.0

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