TbCuSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1019275 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

TbCuSn

MP-ID

mp-1019275

Elements

Sites

Density

8.4196

g/cm³

Volume

134.58

Å³

Cell a

4.5445

Cell b

4.5445

Cell c

7.5244

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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 18)

2θ	d (Å)	I	hkl
22.59	3.9356	7.8	(1,0,-1,0)
25.54	3.4874	5.8	(1,0,-1,1)
32.94	2.7195	100.0	(1,0,-1,2)
39.67	2.2723	57.3	(2,-1,-1,0)
42.75	2.1151	1.7	(1,0,-1,3)
46.13	1.9678	1.2	(2,0,-2,0)
47.77	1.9038	1.2	(2,0,-2,1)
48.39	1.8811	10.8	(0,0,0,4)
52.48	1.7437	26.8	(2,0,-2,2)
54.03	1.6972	1.5	(1,0,-1,4)
63.78	1.4593	1.2	(3,-1,-2,1)
64.29	1.4490	18.4	(2,-1,-1,4)
64.29	1.4490	9.2	(1,1,-2,4)
67.74	1.3833	24.9	(3,-1,-2,2)
71.98	1.3119	9.9	(3,0,-3,0)
80.36	1.1949	7.8	(1,0,-1,6)
85.46	1.1361	4.3	(4,-2,-2,0)
85.46	1.1361	2.1	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

-0.56603

eV/atom

Energy/atom

-4.81491

eV/atom

Energy above Hull

0.0387

eV/atom

Uncorrected Energy

-4.8149

eV/atom

Volume/atom

22.43

Å³

c/a Ratio

1.6557

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Tb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.9903

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.680%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3920

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.404

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Related Tasks

Related computation task IDs (5)

aaadmnwe aaadssae aaaerbtd aaafafjb aaafsagc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019275

Reference Citation

The crystal structure and related material properties of TbCuSn were obtained from the Materials Project database (MP-ID: mp-1019275, 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

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Raw CIF Data

# generated using pymatgen
data_TbCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54449018
_cell_length_b   4.54449018
_cell_length_c   7.52439600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCuSn
_chemical_formula_sum   'Tb2 Cu2 Sn2'
_cell_volume   134.57754554
_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
  Tb  Tb0  1  0.00000000  0.00000000  0.50000000  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.25000000  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn5  1  0.66666700  0.33333300  0.75000000  1.0

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