Navigation

HEAS Data Platform · Materials Science Database

Ti(Sn2O5)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-852474 · Space group: P-1 (#2)

Basic Information

Formula
Ti(Sn2O5)2
MP-ID
mp-852474
Elements
3
Sites
30
Density
6.1731
g/cm³
Volume
367.29
ų
Cell a
4.7974
Å
Cell b
5.7609
Å
Cell c
13.5541
Å
α Angle
78.66
°
β Angle
89.96
°
γ Angle
89.93
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
6.65 13.2896 15.8 (0,0,1)
18.23 4.8654 2.3 (0,1,-1)
18.49 4.7974 3.3 (1,0,0)
18.51 4.7938 2.5 (0,1,2)
19.67 4.5132 1.8 (1,0,1)
19.68 4.5116 1.7 (1,0,-1)
22.58 3.9385 100.0 (0,1,-2)
22.95 3.8753 2.6 (0,1,3)
26.08 3.4173 1.2 (1,1,-1)
26.09 3.4149 1.0 (1,-1,1)
26.26 3.3932 1.3 (1,1,2)
26.30 3.3888 1.7 (1,-1,-2)
29.33 3.0447 1.4 (1,1,-2)
29.35 3.0435 12.4 (1,-1,2)
29.62 3.0164 76.2 (1,1,3)
29.65 3.0129 78.3 (1,-1,-3)
36.37 2.4705 40.9 (1,2,1)
36.40 2.4680 41.4 (1,-2,-1)
37.49 2.3987 20.8 (2,0,0)
38.72 2.3255 28.0 (1,0,5)
38.74 2.3244 25.6 (1,0,-5)
44.20 2.0490 26.1 (2,1,-2)
44.22 2.0483 25.4 (2,-1,2)
44.39 2.0407 1.4 (2,1,3)
Get direct link

Energy Properties

Formation Energy/atom
1.57932
eV/atom
Energy/atom
-3.31490
eV/atom
Energy above Hull
3.9669
eV/atom
Uncorrected Energy
-2.8569
eV/atom
Volume/atom
12.24
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.1435
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000390
μB/ų

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
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8033
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.6788
J/mol·K
Ω Parameter
0.0542
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
47.221%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7436
smaller = more stable mixing
VEC
4.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-37.049
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7312
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.447
Family
O-rich Multi-Component
Matrix Element
O · 0.667

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-852474
Reference Citation

The crystal structure and related material properties of Ti(Sn2O5)2 were obtained from the Materials Project database (MP-ID: mp-852474, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ti(Sn2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79742200
_cell_length_b   5.76088191
_cell_length_c   13.55407568
_cell_angle_alpha   78.66206542
_cell_angle_beta   89.95622312
_cell_angle_gamma   89.93328449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(Sn2O5)2
_chemical_formula_sum   'Ti2 Sn8 O20'
_cell_volume   367.28844720
_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
  Ti  Ti0  1  0.99952300  0.80154000  0.89873000  1.0
  Ti  Ti1  1  0.00047700  0.19846000  0.10127000  1.0
  Sn  Sn2  1  0.49976000  0.80053900  0.39919400  1.0
  Sn  Sn3  1  0.50024000  0.19946100  0.60080600  1.0
  Sn  Sn4  1  0.50000000  0.00000000  0.00000000  1.0
  Sn  Sn5  1  0.50169400  0.60267200  0.80075800  1.0
  Sn  Sn6  1  0.49830600  0.39732800  0.19924200  1.0
  Sn  Sn7  1  0.00036300  0.39839300  0.70345300  1.0
  Sn  Sn8  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn9  1  0.99963700  0.60160700  0.29654700  1.0
  O  O10  1  0.81049000  0.93360600  0.82335400  1.0
  O  O11  1  0.81005600  0.33172300  0.02490400  1.0
  O  O12  1  0.81008500  0.14218800  0.40393000  1.0
  O  O13  1  0.80973400  0.74382100  0.20134900  1.0
  O  O14  1  0.80700700  0.53939200  0.61704500  1.0
  O  O15  1  0.70546100  0.13835100  0.91697500  1.0
  O  O16  1  0.70607400  0.74123800  0.71625600  1.0
  O  O17  1  0.68991200  0.33891200  0.52129700  1.0
  O  O18  1  0.69383700  0.53844000  0.11672400  1.0
  O  O19  1  0.68965000  0.94067900  0.32127400  1.0
  O  O20  1  0.29453900  0.86164900  0.08302500  1.0
  O  O21  1  0.30616300  0.46156000  0.88327600  1.0
  O  O22  1  0.31035000  0.05932100  0.67872600  1.0
  O  O23  1  0.29392600  0.25876200  0.28374400  1.0
  O  O24  1  0.31008800  0.66108800  0.47870300  1.0
  O  O25  1  0.18951000  0.06639400  0.17664600  1.0
  O  O26  1  0.19026600  0.25617900  0.79865100  1.0
  O  O27  1  0.18994400  0.66827700  0.97509600  1.0
  O  O28  1  0.18991500  0.85781200  0.59607000  1.0
  O  O29  1  0.19299300  0.46060800  0.38295500  1.0
Get direct link