Mg(SnO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1046867 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Mg(SnO2)2

MP-ID

mp-1046867

Elements

Sites

Density

5.3466

g/cm³

Volume

202.33

Å³

Cell a

6.5895

Cell b

6.5895

Cell c

6.5895

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 17)

2θ	d (Å)	I	hkl
16.48	5.3803	92.8	(1,1,1)
27.06	3.2948	2.7	(2,1,1)
31.85	2.8098	100.0	(2,2,1)
33.31	2.6902	47.3	(2,2,2)
38.65	2.3298	61.5	(2,2,0)
42.27	2.1379	24.1	(3,2,2)
47.82	1.9022	1.1	(3,3,2)
50.92	1.7935	38.1	(3,3,3)
55.80	1.6474	56.4	(4,2,2)
58.60	1.5752	21.5	(4,3,2)
65.70	1.4211	13.0	(4,4,3)
66.56	1.4049	25.2	(4,4,2)
69.94	1.3451	13.5	(4,4,4)
72.42	1.3049	12.0	(5,3,3)
78.90	1.2132	23.4	(5,4,4)
82.88	1.1649	9.0	(4,4,0)
85.24	1.1385	3.5	(5,5,3)

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Energy Properties

Formation Energy/atom

-1.90544

eV/atom

Energy/atom

-6.11136

eV/atom

Energy above Hull

0.3442

eV/atom

Uncorrected Energy

-5.7188

eV/atom

Volume/atom

14.45

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0051

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

0.9353

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

46.468%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8633

smaller = more stable mixing

VEC

3.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.612

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.362

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaachoqz aaadbzxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046867

Reference Citation

The crystal structure and related material properties of Mg(SnO2)2 were obtained from the Materials Project database (MP-ID: mp-1046867, 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_Mg(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58954082
_cell_length_b   6.58954082
_cell_length_c   6.58954082
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(SnO2)2
_chemical_formula_sum   'Mg2 Sn4 O8'
_cell_volume   202.32542458
_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
  Mg  Mg0  1  0.75000000  0.75000000  0.75000000  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn2  1  0.12500000  0.12500000  0.62500000  1.0
  Sn  Sn3  1  0.62500000  0.12500000  0.12500000  1.0
  Sn  Sn4  1  0.12500000  0.12500000  0.12500000  1.0
  Sn  Sn5  1  0.12500000  0.62500000  0.12500000  1.0
  O  O6  1  0.88738600  0.37087100  0.37087100  1.0
  O  O7  1  0.37087100  0.37087100  0.88738600  1.0
  O  O8  1  0.37087100  0.37087100  0.37087100  1.0
  O  O9  1  0.36261400  0.87912900  0.87912900  1.0
  O  O10  1  0.87912900  0.36261400  0.87912900  1.0
  O  O11  1  0.87912900  0.87912900  0.36261400  1.0
  O  O12  1  0.37087100  0.88738600  0.37087100  1.0
  O  O13  1  0.87912900  0.87912900  0.87912900  1.0

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