Sn2P3O10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-673117 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Sn2P3O10

MP-ID

mp-673117

Elements

Sites

Density

3.1659

g/cm³

Volume

514.37

Å³

Cell a

7.8695

Cell b

7.8695

Cell c

9.6053

α Angle

68.47

β Angle

68.47

γ Angle

80.49

Space Group

C2/c

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
12.10	7.3156	16.3	(1,0,0)
13.11	6.7508	13.7	(1,0,1)
16.83	5.2667	23.3	(1,1,0)
17.44	5.0839	15.3	(1,-1,0)
18.53	4.7877	13.2	(1,0,-1)
19.67	4.5138	12.8	(1,1,2)
20.40	4.3524	11.8	(1,-1,1)
20.52	4.3275	100.0	(1,0,2)
23.94	3.7174	2.4	(2,1,1)
24.33	3.6578	13.8	(2,0,0)
25.53	3.4893	6.3	(2,1,2)
26.41	3.3754	1.3	(2,0,2)
26.86	3.3188	51.9	(2,1,0)
27.50	3.2430	5.0	(1,-1,2)
27.65	3.2264	1.0	(2,-1,0)
27.75	3.2147	8.6	(1,0,-2)
28.12	3.1730	11.7	(2,-1,1)
30.16	2.9635	23.0	(2,2,2)
31.11	2.8747	16.4	(2,-1,-1)
32.38	2.7652	13.3	(2,-1,2)
33.01	2.7135	10.5	(1,1,-2)
33.11	2.7058	2.3	(2,0,3)
33.21	2.6977	1.1	(2,1,-1)
34.71	2.5842	2.5	(3,0,1)

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Energy Properties

Formation Energy/atom

-2.27797

eV/atom

Energy/atom

-7.19432

eV/atom

Energy above Hull

0.1623

eV/atom

Uncorrected Energy

-6.7363

eV/atom

Volume/atom

17.15

Å³

c/a Ratio

1.2206

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

2.0038

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003900

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1571

J/mol·K

Ω Parameter

0.3757

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.642%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6360

smaller = more stable mixing

VEC

4.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.188

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7836

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.520

Family

Interstitial Alloy

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (2)

aaacbwaw aaadzyin

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673117

Reference Citation

The crystal structure and related material properties of Sn2P3O10 were obtained from the Materials Project database (MP-ID: mp-673117, 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_Sn2P3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86946588
_cell_length_b   7.86946588
_cell_length_c   9.60527956
_cell_angle_alpha   68.46554030
_cell_angle_beta   68.46554030
_cell_angle_gamma   80.48651937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2P3O10
_chemical_formula_sum   'Sn4 P6 O20'
_cell_volume   514.37467081
_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
  Sn  Sn0  1  0.72050300  0.64197600  0.91581400  1.0
  Sn  Sn1  1  0.35802400  0.27949700  0.58418600  1.0
  Sn  Sn2  1  0.64197600  0.72050300  0.41581400  1.0
  Sn  Sn3  1  0.27949700  0.35802400  0.08418600  1.0
  P  P4  1  0.10266100  0.89733900  0.75000000  1.0
  P  P5  1  0.12650800  0.58084100  0.64757100  1.0
  P  P6  1  0.89733900  0.10266100  0.25000000  1.0
  P  P7  1  0.41915900  0.87349200  0.85242900  1.0
  P  P8  1  0.87349200  0.41915900  0.35242900  1.0
  P  P9  1  0.58084100  0.12650800  0.14757100  1.0
  O  O10  1  0.78684500  0.43591600  0.51753900  1.0
  O  O11  1  0.09621600  0.14031200  0.15191500  1.0
  O  O12  1  0.18434300  0.78114200  0.63179500  1.0
  O  O13  1  0.90378400  0.85968800  0.84808500  1.0
  O  O14  1  0.41639700  0.08202600  0.78797500  1.0
  O  O15  1  0.21922100  0.42814100  0.75661400  1.0
  O  O16  1  0.78114200  0.18434300  0.13179500  1.0
  O  O17  1  0.42814100  0.21922100  0.25661400  1.0
  O  O18  1  0.14031200  0.09621600  0.65191500  1.0
  O  O19  1  0.58360300  0.91797400  0.21202500  1.0
  O  O20  1  0.57185900  0.78077900  0.74338600  1.0
  O  O21  1  0.43591600  0.78684500  0.01753900  1.0
  O  O22  1  0.78077900  0.57185900  0.24338600  1.0
  O  O23  1  0.81565700  0.21885800  0.36820500  1.0
  O  O24  1  0.85968800  0.90378400  0.34808500  1.0
  O  O25  1  0.21315500  0.56408400  0.48246100  1.0
  O  O26  1  0.08202600  0.41639700  0.28797500  1.0
  O  O27  1  0.56408400  0.21315500  0.98246100  1.0
  O  O28  1  0.21885800  0.81565700  0.86820500  1.0
  O  O29  1  0.91797400  0.58360300  0.71202500  1.0

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