Ti10CuSn7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296054 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Ti10CuSn7

MP-ID

mp-3296054

Elements

Sites

Density

6.9011

g/cm³

Volume

330.41

Å³

Cell a

5.5856

Cell b

8.2648

Cell c

8.2648

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P-31m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
12.37	7.1575	1.8	(0,1,-1,-1)
12.37	7.1575	1.8	(0,1,-1,0)
12.37	7.1575	1.8	(0,0,0,1)
15.87	5.5856	1.3	(1,0,-1,0)
20.17	4.4034	2.4	(1,0,-1,1)
21.50	4.1324	1.6	(0,2,-2,-1)
21.50	4.1324	1.6	(0,1,-1,-2)
21.50	4.1324	1.6	(0,1,-1,1)
24.88	3.5788	24.9	(0,2,-2,-2)
24.88	3.5788	24.9	(0,2,-2,0)
24.88	3.5787	24.9	(0,0,0,2)
26.84	3.3221	32.6	(1,2,-3,-1)
26.84	3.3221	17.2	(1,1,-2,-2)
26.84	3.3221	17.2	(1,1,-2,1)
26.84	3.3221	32.7	(1,-1,0,2)
26.84	3.3221	17.2	(1,-2,1,1)
26.84	3.3221	32.7	(1,-1,0,-1)
29.65	3.0133	1.4	(1,0,-1,2)
32.05	2.7928	53.7	(2,0,-2,0)
34.47	2.6018	2.6	(2,1,-3,-1)
34.47	2.6018	2.6	(2,1,-3,0)
34.47	2.6018	5.3	(2,0,-2,1)
34.47	2.6018	2.6	(2,-1,-1,1)
34.47	2.6018	2.6	(2,-1,-1,0)

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Energy Properties

Formation Energy/atom

-0.39218

eV/atom

Energy/atom

-17.80594

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.8059

eV/atom

Volume/atom

18.36

Å³

c/a Ratio

1.4797

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.6061

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004860

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.556

Element Family

3d-TM

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8544

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1036

J/mol·K

Ω Parameter

0.4808

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.459%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2054

smaller = more stable mixing

VEC

4.389

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.951

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7777

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.800

Family

Ti-based Alloy

Matrix Element

Ti · 0.556

Related Tasks

Related computation task IDs (1)

aaahfnvi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296054

Reference Citation

The crystal structure and related material properties of Ti10CuSn7 were obtained from the Materials Project database (MP-ID: mp-3296054, 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_Ti10CuSn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58558283
_cell_length_b   8.26476923
_cell_length_c   8.26476230
_cell_angle_alpha   120.00013842
_cell_angle_beta   90.00008182
_cell_angle_gamma   89.99983011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti10CuSn7
_chemical_formula_sum   'Ti10 Cu1 Sn7'
_cell_volume   330.41489862
_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
  Ti  Ti0  1  0.50000100  0.33333352  0.66667154  1.0
  Ti  Ti1  1  0.50000032  0.66666434  0.33333157  1.0
  Ti  Ti2  1  0.00000065  0.66666580  0.33333244  1.0
  Ti  Ti3  1  0.00000033  0.33333379  0.66666951  1.0
  Ti  Ti4  1  0.73823501  0.27431248  0.00001836  1.0
  Ti  Ti5  1  0.73823769  0.72572074  0.72570363  1.0
  Ti  Ti6  1  0.73823736  0.99998417  0.27428881  1.0
  Ti  Ti7  1  0.26176424  0.72570567  0.00001859  1.0
  Ti  Ti8  1  0.26176202  0.27429702  0.27428483  1.0
  Ti  Ti9  1  0.26176361  0.99997540  0.72568963  1.0
  Cu  Cu10  1  0.49999565  0.00000865  0.99998794  1.0
  Sn  Sn11  1  0.75313136  0.61435349  0.00014247  1.0
  Sn  Sn12  1  0.75313375  0.38579370  0.38564897  1.0
  Sn  Sn13  1  0.75313346  0.99986055  0.61421076  1.0
  Sn  Sn14  1  0.24686598  0.38578733  0.00014227  1.0
  Sn  Sn15  1  0.24686718  0.61434929  0.61421120  1.0
  Sn  Sn16  1  0.24687030  0.99985304  0.38565079  1.0
  Sn  Sn17  1  0.99999807  0.00000202  0.99999668  1.0

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