Zn(SnO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1047307 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Zn(SnO2)2

MP-ID

mp-1047307

Elements

Sites

Density

5.9420

g/cm³

Volume

205.02

Å³

Cell a

6.5752

Cell b

6.5752

Cell c

6.5450

α Angle

61.34

β Angle

61.34

γ Angle

60.62

Space Group

C2/m

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
16.29	5.4423	71.1	(0,0,1)
16.33	5.4292	52.9	(1,0,0)
16.68	5.3151	39.7	(1,1,1)
18.80	4.7200	1.0	(1,1,0)
26.64	3.3461	19.8	(1,0,-1)
26.87	3.3183	11.5	(1,-1,0)
27.13	3.2865	21.5	(2,1,1)
27.26	3.2715	10.7	(1,1,2)
31.23	2.8642	48.0	(1,1,-1)
31.46	2.8433	69.3	(2,1,0)
31.58	2.8332	75.7	(1,-1,1)
31.73	2.8203	100.0	(1,0,2)
31.79	2.8148	83.0	(2,0,1)
31.87	2.8082	40.9	(2,2,1)
32.15	2.7843	77.4	(2,1,2)
32.92	2.7212	29.6	(0,0,2)
33.00	2.7146	96.4	(2,0,0)
33.73	2.6575	38.3	(2,2,2)
38.13	2.3600	49.0	(2,2,0)
38.65	2.3297	94.3	(2,0,2)
41.60	2.1707	16.8	(1,0,-2)
41.66	2.1682	1.1	(2,0,-1)
41.95	2.1539	6.8	(2,-1,0)
42.16	2.1436	3.2	(3,1,1)

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Energy Properties

Formation Energy/atom

-1.60613

eV/atom

Energy/atom

-5.75909

eV/atom

Energy above Hull

0.2753

eV/atom

Uncorrected Energy

-5.3665

eV/atom

Volume/atom

14.64

Å³

c/a Ratio

0.9954

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

6.6817

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

44.064%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7894

smaller = more stable mixing

VEC

5.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.327

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.379

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (3)

aaachphs aaadaxki aaadumku

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047307

Reference Citation

The crystal structure and related material properties of Zn(SnO2)2 were obtained from the Materials Project database (MP-ID: mp-1047307, 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(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57517745
_cell_length_b   6.57517745
_cell_length_c   6.54502546
_cell_angle_alpha   61.34280892
_cell_angle_beta   61.34280892
_cell_angle_gamma   60.61930510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(SnO2)2
_chemical_formula_sum   'Zn2 Sn4 O8'
_cell_volume   205.02402963
_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
  Zn  Zn0  1  0.89279000  0.89279000  0.33902100  1.0
  Zn  Zn1  1  0.10721000  0.10721000  0.66097900  1.0
  Sn  Sn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn4  1  0.50000000  0.00000000  0.00000000  1.0
  Sn  Sn5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.73293900  0.21438900  0.79178200  1.0
  O  O7  1  0.21438900  0.73293900  0.79178200  1.0
  O  O8  1  0.23880800  0.23880800  0.78709000  1.0
  O  O9  1  0.74827100  0.74827100  0.77615100  1.0
  O  O10  1  0.76119200  0.76119200  0.21291000  1.0
  O  O11  1  0.78561100  0.26706100  0.20821800  1.0
  O  O12  1  0.25172900  0.25172900  0.22384900  1.0
  O  O13  1  0.26706100  0.78561100  0.20821800  1.0

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