Th10Sn7Bi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296787 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Th10Sn7Bi

MP-ID

mp-3296787

Elements

Sites

Density

10.3025

g/cm³

Volume

541.61

Å³

Cell a

9.7249

Cell b

9.7249

Cell c

6.6183

α Angle

90.00

β Angle

90.00

γ Angle

120.08

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
10.51	8.4151	1.1	(1,0,-1,0)
18.27	4.8565	1.5	(1,1,-2,0)
21.12	4.2075	3.7	(2,0,-2,0)
22.69	3.9185	9.3	(2,-1,-1,1)
22.71	3.9154	3.8	(1,1,-2,1)
26.94	3.3091	9.5	(0,0,0,2)
28.02	3.1840	5.7	(3,-2,-1,0)
28.04	3.1823	1.8	(3,-1,-2,0)
28.04	3.1823	1.8	(1,-3,2,0)
28.06	3.1795	3.2	(2,1,-3,0)
28.99	3.0801	3.4	(1,-1,0,2)
28.99	3.0796	3.1	(1,0,-1,2)
31.17	2.8692	19.6	(3,-2,-1,1)
31.19	2.8680	27.3	(3,-1,-2,1)
31.21	2.8659	27.0	(2,1,-3,1)
31.86	2.8085	42.6	(3,-3,0,0)
31.90	2.8050	40.4	(3,0,-3,0)
31.90	2.8050	40.4	(0,3,-3,0)
32.74	2.7357	100.0	(2,-1,-1,2)
32.75	2.7347	46.2	(1,1,-2,2)
36.97	2.4312	1.7	(4,-2,-2,0)
40.96	2.2033	2.9	(4,-3,-1,1)
40.96	2.2033	2.9	(3,-4,1,1)
40.99	2.2018	6.2	(4,-1,-3,1)

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Energy Properties

Formation Energy/atom

-0.67943

eV/atom

Energy/atom

-54.37266

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-54.3727

eV/atom

Volume/atom

30.09

Å³

c/a Ratio

0.6806

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Th · 0.556

Element Family

Actinide

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

115.2165

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.348%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3319

smaller = more stable mixing

VEC

2.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.086

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7777

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.590

Family

Th-rich Multi-Component

Matrix Element

Th · 0.556

Related Tasks

Related computation task IDs (1)

aaahfoxn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296787

Reference Citation

The crystal structure and related material properties of Th10Sn7Bi were obtained from the Materials Project database (MP-ID: mp-3296787, 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_Th10Sn7Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72488296
_cell_length_b   9.72488212
_cell_length_c   6.61828902
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.08132448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10Sn7Bi
_chemical_formula_sum   'Th10 Sn7 Bi1'
_cell_volume   541.61241418
_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
  Th  Th0  1  0.00397272  0.72399716  0.75000000  1.0
  Th  Th1  1  0.27520180  0.27520180  0.75000000  1.0
  Th  Th2  1  0.33075411  0.66748736  0.49867688  1.0
  Th  Th3  1  0.66748736  0.33075411  0.49867688  1.0
  Th  Th4  1  0.72289065  0.72289065  0.25000000  1.0
  Th  Th5  1  0.72399716  0.00397272  0.75000000  1.0
  Th  Th6  1  0.00049674  0.27788373  0.25000000  1.0
  Th  Th7  1  0.27788373  0.00049674  0.25000000  1.0
  Th  Th8  1  0.33075411  0.66748736  0.00132312  1.0
  Th  Th9  1  0.66748736  0.33075411  0.00132312  1.0
  Sn  Sn10  1  0.00046392  0.38256110  0.75000000  1.0
  Sn  Sn11  1  0.38256110  0.00046392  0.75000000  1.0
  Sn  Sn12  1  0.61795402  0.99989980  0.25000000  1.0
  Sn  Sn13  1  0.38187085  0.38187085  0.25000000  1.0
  Sn  Sn14  1  0.99929467  0.99929467  0.00041593  1.0
  Sn  Sn15  1  0.99989980  0.61795402  0.25000000  1.0
  Sn  Sn16  1  0.99929467  0.99929467  0.49958407  1.0
  Bi  Bi17  1  0.61773523  0.61773523  0.75000000  1.0

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