Mg(SnO2)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1047978 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg(SnO2)4

MP-ID

mp-1047978

Elements

Sites

Density

5.4404

g/cm³

Volume

191.42

Å³

Cell a

7.7320

Cell b

7.7320

Cell c

10.3349

α Angle

50.14

β Angle

50.14

γ Angle

24.22

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
11.34	7.8051	79.0	(0,0,1)
11.77	7.5219	78.9	(1,1,1)
15.52	5.7094	50.9	(1,1,0)
17.17	5.1639	100.0	(1,1,2)
22.79	3.9026	5.1	(0,0,2)
23.66	3.7610	7.0	(2,2,2)
24.62	3.6153	22.4	(1,1,-1)
25.24	3.5292	61.6	(2,2,1)
26.77	3.3304	75.9	(1,1,3)
27.33	3.2628	29.2	(2,2,3)
28.85	3.0949	1.2	(1,0,1)
31.33	2.8547	58.5	(2,2,0)
32.76	2.7337	86.1	(1,0,-1)
33.08	2.7083	85.7	(2,1,1)
33.40	2.6828	48.0	(1,0,2)
33.71	2.6589	79.4	(2,1,2)
34.47	2.6017	39.5	(0,0,3)
34.74	2.5820	14.5	(2,2,4)
35.36	2.5386	14.0	(1,1,-2)
35.81	2.5073	32.5	(3,3,3)
36.39	2.4690	10.2	(2,1,0)
36.53	2.4600	3.1	(3,3,2)
37.70	2.3861	4.7	(1,1,4)
38.12	2.3610	8.3	(2,1,3)

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Energy Properties

Formation Energy/atom

-1.84584

eV/atom

Energy/atom

-6.24987

eV/atom

Energy above Hull

0.3382

eV/atom

Uncorrected Energy

-5.8271

eV/atom

Volume/atom

14.72

Å³

c/a Ratio

1.3366

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0033

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

1.2261

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.238%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7997

smaller = more stable mixing

VEC

3.846

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.515

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 (2)

aaachqhp aaadxrwk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1047978

Reference Citation

The crystal structure and related material properties of Mg(SnO2)4 were obtained from the Materials Project database (MP-ID: mp-1047978, 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_Mg(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73199575
_cell_length_b   7.73199575
_cell_length_c   10.33493282
_cell_angle_alpha   50.14188726
_cell_angle_beta   50.14188726
_cell_angle_gamma   24.21885832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(SnO2)4
_chemical_formula_sum   'Mg1 Sn4 O8'
_cell_volume   191.41829070
_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
  Mg  Mg0  1  0.56758500  0.56758500  0.92837900  1.0
  Sn  Sn1  1  0.37042400  0.37042400  0.43754300  1.0
  Sn  Sn2  1  0.85597200  0.85597200  0.78538400  1.0
  Sn  Sn3  1  0.17162400  0.17162400  0.15361800  1.0
  Sn  Sn4  1  0.65543700  0.65543700  0.50095300  1.0
  O  O5  1  0.14839600  0.14839600  0.37671900  1.0
  O  O6  1  0.55311400  0.55311400  0.23124300  1.0
  O  O7  1  0.47125100  0.47125100  0.70397600  1.0
  O  O8  1  0.87541100  0.87541100  0.56518400  1.0
  O  O9  1  0.84343600  0.84343600  0.33457100  1.0
  O  O10  1  0.22638600  0.22638600  0.89573000  1.0
  O  O11  1  0.17855400  0.17855400  0.61506100  1.0
  O  O12  1  0.79136200  0.79136200  0.04099300  1.0

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