Zn(SnO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1044626 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Zn(SnO2)2

MP-ID

mp-1044626

Elements

Sites

Density

6.0324

g/cm³

Volume

605.85

Å³

Cell a

6.5889

Cell b

6.5889

Cell c

16.0766

α Angle

89.46

β Angle

89.46

γ Angle

60.24

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
15.49	5.7198	1.3	(1,0,-1,0)
15.55	5.6989	1.1	(1,1,-2,0)
16.42	5.3983	42.6	(1,0,-1,1)
16.48	5.3795	1.2	(1,0,-1,-1)
16.54	5.3586	66.3	(0,0,0,3)
16.56	5.3529	27.6	(1,1,-2,-1)
18.99	4.6725	1.4	(1,0,-1,2)
19.19	4.6251	2.1	(1,1,-2,-2)
22.68	3.9213	2.0	(1,0,-1,3)
26.97	3.3064	12.2	(1,-1,0,0)
27.05	3.2969	33.7	(1,0,-1,4)
27.07	3.2943	23.7	(2,1,-3,0)
27.29	3.2675	17.1	(1,1,-2,-4)
31.75	2.8184	74.8	(2,1,-3,3)
31.80	2.8138	77.7	(1,-1,0,3)
31.81	2.8135	46.4	(1,1,-2,5)
31.81	2.8130	100.0	(2,0,-2,-1)
31.83	2.8110	51.5	(2,2,-4,1)
31.85	2.8093	1.1	(1,0,-1,5)
32.01	2.7961	92.1	(1,0,-1,-5)
32.03	2.7945	80.1	(2,1,-3,-3)
33.19	2.6991	86.7	(2,0,-2,2)
33.44	2.6793	30.3	(0,0,0,6)
33.48	2.6764	38.1	(2,2,-4,-2)

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Energy Properties

Formation Energy/atom

-1.63487

eV/atom

Energy/atom

-5.78783

eV/atom

Energy above Hull

0.2465

eV/atom

Uncorrected Energy

-5.3953

eV/atom

Volume/atom

14.43

Å³

c/a Ratio

2.4400

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1936

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000320

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

0.398

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaachljx aaaedtvi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1044626

Reference Citation

The crystal structure and related material properties of Zn(SnO2)2 were obtained from the Materials Project database (MP-ID: mp-1044626, 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   6.58889287
_cell_length_b   6.58889287
_cell_length_c   16.07662528
_cell_angle_alpha   89.45578567
_cell_angle_beta   89.45578567
_cell_angle_gamma   60.23969581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(SnO2)2
_chemical_formula_sum   'Zn6 Sn12 O24'
_cell_volume   605.85421728
_cell_formula_units_Z   6
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  0.16657800  0.16657800  0.95051100  1.0
  Zn  Zn1  1  0.49400800  0.49400800  0.61436700  1.0
  Zn  Zn2  1  0.50006100  0.50006100  0.00034500  1.0
  Zn  Zn3  1  0.82951400  0.82951400  0.28664600  1.0
  Zn  Zn4  1  0.17103700  0.17103700  0.71763700  1.0
  Zn  Zn5  1  0.50490000  0.50490000  0.38212200  1.0
  Sn  Sn6  1  0.17466000  0.66328800  0.83464600  1.0
  Sn  Sn7  1  0.66272000  0.66272000  0.83474900  1.0
  Sn  Sn8  1  0.49805000  0.99903700  0.50084100  1.0
  Sn  Sn9  1  0.66328800  0.17466000  0.83464600  1.0
  Sn  Sn10  1  0.83619900  0.83619900  0.66813800  1.0
  Sn  Sn11  1  0.99927000  0.99927000  0.50029100  1.0
  Sn  Sn12  1  0.83033200  0.33382900  0.16668300  1.0
  Sn  Sn13  1  0.99903700  0.49805000  0.50084100  1.0
  Sn  Sn14  1  0.33382900  0.83033200  0.16668300  1.0
  Sn  Sn15  1  0.16302300  0.16302300  0.33468600  1.0
  Sn  Sn16  1  0.33419600  0.33419600  0.16688200  1.0
  Sn  Sn17  1  0.83461300  0.83461300  0.04854500  1.0
  O  O18  1  0.34655200  0.34655200  0.91514600  1.0
  O  O19  1  0.50137600  0.50137600  0.75338900  1.0
  O  O20  1  0.34782500  0.80481200  0.91539000  1.0
  O  O21  1  0.80481200  0.34782500  0.91539000  1.0
  O  O22  1  0.49950100  0.99958600  0.76922100  1.0
  O  O23  1  0.67138700  0.67138700  0.57181500  1.0
  O  O24  1  0.99958600  0.49950100  0.76922100  1.0
  O  O25  1  0.83217900  0.83217900  0.89306400  1.0
  O  O26  1  0.64360700  0.16109100  0.57362100  1.0
  O  O27  1  0.82217600  0.82217600  0.42332200  1.0
  O  O28  1  0.00326400  0.00326400  0.76853200  1.0
  O  O29  1  0.16109100  0.64360700  0.57362100  1.0
  O  O30  1  0.83676100  0.36301800  0.42228400  1.0
  O  O31  1  0.99257000  0.99257000  0.22916100  1.0
  O  O32  1  0.36301800  0.83676100  0.42228400  1.0
  O  O33  1  0.18277500  0.18277500  0.58149800  1.0
  O  O34  1  0.16742200  0.16742200  0.09332500  1.0
  O  O35  1  0.99647300  0.50883300  0.22818900  1.0
  O  O36  1  0.32525300  0.32525300  0.42733000  1.0
  O  O37  1  0.50883300  0.99647300  0.22818900  1.0
  O  O38  1  0.22401700  0.63652400  0.09113500  1.0
  O  O39  1  0.49764200  0.49764200  0.24384700  1.0
  O  O40  1  0.63652400  0.22401700  0.09113500  1.0
  O  O41  1  0.63986100  0.63986100  0.09065300  1.0

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