Zn(SbO2)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1047983 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Zn(SbO2)4

MP-ID

mp-1047983

Elements

Sites

Density

5.2243

g/cm³

Volume

216.28

Å³

Cell a

7.9886

Cell b

7.9886

Cell c

11.4354

α Angle

49.53

β Angle

49.53

γ Angle

23.31

Space Group

Point Group

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
10.33	8.5635	31.7	(0,0,1)
11.31	7.8206	42.1	(1,1,1)
15.12	5.8589	85.3	(1,1,0)
15.56	5.6942	29.3	(1,1,2)
20.75	4.2817	29.2	(0,0,2)
22.74	3.9103	14.9	(2,2,2)
23.40	3.8018	100.0	(1,1,-1)
23.98	3.7112	24.1	(1,1,3)
24.76	3.5961	48.3	(2,2,1)
25.31	3.5192	99.1	(2,2,3)
28.68	3.1122	6.2	(1,0,0)
28.74	3.1058	7.4	(1,0,1)
30.52	2.9295	9.8	(2,2,0)
31.34	2.8545	32.1	(0,0,3)
31.42	2.8471	27.5	(2,2,4)
32.29	2.7725	64.3	(1,0,-1)
32.45	2.7590	62.6	(1,0,2)
32.97	2.7164	52.6	(2,1,1)
33.10	2.7065	8.4	(1,1,-2)
33.13	2.7037	76.7	(2,1,2)
33.73	2.6571	25.5	(1,1,4)
34.40	2.6069	19.3	(3,3,3)
35.72	2.5140	9.4	(3,3,2)
36.10	2.4883	17.3	(2,1,0)

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Energy Properties

Formation Energy/atom

-1.44786

eV/atom

Energy/atom

-5.86013

eV/atom

Energy above Hull

0.3529

eV/atom

Uncorrected Energy

-5.4374

eV/atom

Volume/atom

16.64

Å³

c/a Ratio

1.4315

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2206

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1396

J/mol·K

Ω Parameter

2.7533

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

43.959%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7220

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.947

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.410

Family

O-rich Multi-Component

Matrix Element

O · 0.615

Related Tasks

Related computation task IDs (3)

aaachqhj aaadbrzb aaaduvet

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047983

Reference Citation

The crystal structure and related material properties of Zn(SbO2)4 were obtained from the Materials Project database (MP-ID: mp-1047983, 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_Zn(SbO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98855283
_cell_length_b   7.98855283
_cell_length_c   11.43535770
_cell_angle_alpha   49.52907041
_cell_angle_beta   49.52907041
_cell_angle_gamma   23.31327074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(SbO2)4
_chemical_formula_sum   'Zn1 Sb4 O8'
_cell_volume   216.27956726
_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
  Zn  Zn0  1  0.47384000  0.47384000  0.05336700  1.0
  Sb  Sb1  1  0.79985000  0.79985000  0.57601200  1.0
  Sb  Sb2  1  0.65048300  0.65048300  0.19152000  1.0
  Sb  Sb3  1  0.33511300  0.33511300  0.84426600  1.0
  Sb  Sb4  1  0.14329700  0.14329700  0.51005100  1.0
  O  O5  1  0.49972200  0.49972200  0.67278900  1.0
  O  O6  1  0.80818200  0.80818200  0.75043900  1.0
  O  O7  1  0.20311100  0.20311100  0.25724800  1.0
  O  O8  1  0.40641800  0.40641800  0.47626000  1.0
  O  O9  1  0.18379100  0.18379100  0.67709000  1.0
  O  O10  1  0.17135200  0.17135200  0.03140600  1.0
  O  O11  1  0.76687200  0.76687200  0.43049100  1.0
  O  O12  1  0.83463500  0.83463500  0.95970700  1.0

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