TbAgSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31422 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

TbAgSn

MP-ID

mp-31422

Elements

Sites

Density

8.9600

g/cm³

Volume

142.89

Å³

Cell a

4.7079

Cell b

4.7079

Cell c

7.4443

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

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
21.80	4.0771	1.2	(1,-1,0,0)
21.80	4.0771	2.3	(1,0,-1,0)
23.91	3.7221	1.4	(0,0,0,2)
24.90	3.5759	11.0	(1,0,-1,1)
32.57	2.7489	100.0	(1,0,-1,2)
38.23	2.3539	77.5	(2,-1,-1,0)
42.65	2.1197	6.2	(1,-1,0,3)
42.65	2.1197	12.3	(1,0,-1,3)
45.60	1.9895	1.4	(2,-1,-1,2)
46.17	1.9662	1.4	(2,0,-2,1)
48.94	1.8611	4.9	(0,0,0,4)
51.08	1.7880	9.4	(2,-2,0,2)
51.08	1.7880	18.8	(2,0,-2,2)
54.17	1.6930	5.0	(1,0,-1,4)
58.60	1.5752	2.4	(2,-2,0,3)
58.60	1.5752	4.8	(2,0,-2,3)
61.44	1.5090	1.2	(3,-1,-2,1)
63.75	1.4599	13.4	(2,-1,-1,4)
65.56	1.4238	13.3	(3,-2,-1,2)
65.56	1.4238	13.3	(3,-1,-2,2)
66.90	1.3985	7.9	(1,0,-1,5)
68.24	1.3745	2.4	(2,0,-2,4)
69.12	1.3590	4.5	(3,-3,0,0)
69.12	1.3590	9.0	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

-0.59921

eV/atom

Energy/atom

-4.42934

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.4563

eV/atom

Volume/atom

23.81

Å³

c/a Ratio

1.5813

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

3.8466

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.473%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3985

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.667

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Related Tasks

Related computation task IDs (5)

aaadmres aaadsvbu aaaelwyy aaaeukbq aaafwxlr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31422

Reference Citation

The crystal structure and related material properties of TbAgSn were obtained from the Materials Project database (MP-ID: mp-31422, 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_TbAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70786159
_cell_length_b   4.70786163
_cell_length_c   7.44428890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbAgSn
_chemical_formula_sum   'Tb2 Ag2 Sn2'
_cell_volume   142.88978971
_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  0.72591473  1.0
  Tb  Tb1  1  -0.00000000  -0.00000000  0.22591473  1.0
  Ag  Ag2  1  0.66666700  0.33333300  0.54033502  1.0
  Ag  Ag3  1  0.33333300  0.66666700  0.04033502  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.44574925  1.0
  Sn  Sn5  1  0.66666700  0.33333300  0.94574925  1.0

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