Zn(SnO2)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1047985 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Zn(SnO2)4

MP-ID

mp-1047985

Elements

Sites

Density

5.8130

g/cm³

Volume

190.89

Å³

Cell a

7.8102

Cell b

7.8102

Cell c

10.4891

α Angle

48.75

β Angle

48.75

γ Angle

23.81

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
11.42	7.7505	35.7	(0,0,1)
11.61	7.6213	35.8	(1,1,1)
15.69	5.6469	26.7	(1,1,0)
16.91	5.2438	58.2	(1,1,2)
22.95	3.8752	14.0	(0,0,2)
23.34	3.8106	17.0	(2,2,2)
25.00	3.5624	39.6	(1,1,-1)
25.27	3.5244	82.2	(2,2,1)
26.56	3.3556	88.3	(1,1,3)
26.82	3.3237	44.2	(2,2,3)
28.81	3.0991	5.0	(1,0,0)
28.98	3.0807	5.3	(1,0,1)
31.69	2.8235	33.5	(2,2,0)
33.05	2.7101	55.6	(1,0,-1)
33.20	2.6988	100.0	(2,1,1)
33.52	2.6734	67.3	(1,0,2)
33.66	2.6626	52.4	(2,1,2)
34.20	2.6219	10.9	(2,2,4)
34.72	2.5835	27.4	(0,0,3)
35.33	2.5404	22.4	(3,3,3)
35.87	2.5037	15.6	(1,1,-2)
36.39	2.4687	8.3	(3,3,2)
36.71	2.4482	16.9	(2,1,0)
37.58	2.3935	8.0	(1,1,4)

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Energy Properties

Formation Energy/atom

-1.80964

eV/atom

Energy/atom

-6.18516

eV/atom

Energy above Hull

0.1761

eV/atom

Uncorrected Energy

-5.7624

eV/atom

Volume/atom

14.68

Å³

c/a Ratio

1.3430

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0039

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

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

9.1408

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

45.709%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7541

smaller = more stable mixing

VEC

4.615

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.189

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.493

Family

O-rich Multi-Component

Matrix Element

O · 0.615

Related Tasks

Related computation task IDs (3)

aaachqhs aaadccig aaaduxxj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047985

Reference Citation

The crystal structure and related material properties of Zn(SnO2)4 were obtained from the Materials Project database (MP-ID: mp-1047985, 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)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81023952
_cell_length_b   7.81023952
_cell_length_c   10.48907172
_cell_angle_alpha   48.75305751
_cell_angle_beta   48.75305751
_cell_angle_gamma   23.81383865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(SnO2)4
_chemical_formula_sum   'Zn1 Sn4 O8'
_cell_volume   190.89205403
_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  0.52706500  0.52706500  0.95696400  1.0
  Sn  Sn1  1  0.36869900  0.36869900  0.44252100  1.0
  Sn  Sn2  1  0.85649400  0.85649400  0.78382800  1.0
  Sn  Sn3  1  0.17338000  0.17338000  0.15150100  1.0
  Sn  Sn4  1  0.66085200  0.66085200  0.49232100  1.0
  O  O5  1  0.15583600  0.15583600  0.36767500  1.0
  O  O6  1  0.55390900  0.55390900  0.24431000  1.0
  O  O7  1  0.47559100  0.47559100  0.69079200  1.0
  O  O8  1  0.87272000  0.87272000  0.56853400  1.0
  O  O9  1  0.85011300  0.85011300  0.33206800  1.0
  O  O10  1  0.23578100  0.23578100  0.89568000  1.0
  O  O11  1  0.17903900  0.17903900  0.60353300  1.0
  O  O12  1  0.79359900  0.79359900  0.03962600  1.0

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