TbSnRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1084759 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

TbSnRh

MP-ID

mp-1084759

Elements

Sites

Density

10.0293

g/cm³

Volume

189.02

Å³

Cell a

7.5838

Cell b

7.5838

Cell c

3.7949

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

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
23.46	3.7919	1.3	(2,-1,-1,0)
27.15	3.2839	6.2	(2,0,-2,0)
33.41	2.6823	100.0	(2,-1,-1,1)
36.17	2.4832	82.6	(2,0,-2,1)
36.19	2.4824	46.3	(3,-1,-2,0)
41.24	2.1893	38.7	(3,0,-3,0)
43.57	2.0774	19.5	(3,-1,-2,1)
47.94	1.8974	22.2	(0,0,0,2)
47.98	1.8960	2.6	(4,-2,-2,0)
50.08	1.8216	13.8	(4,-1,-3,0)
54.07	1.6961	3.0	(4,-2,-2,1)
54.07	1.6961	1.5	(2,2,-4,1)
55.97	1.6429	1.6	(2,0,-2,2)
56.00	1.6422	15.4	(4,-1,-3,1)
56.01	1.6419	2.8	(4,0,-4,0)
61.51	1.5075	20.3	(3,-1,-2,2)
61.54	1.5069	1.5	(4,0,-4,1)
61.55	1.5068	3.0	(5,-2,-3,0)
65.05	1.4338	20.1	(3,0,-3,2)
65.08	1.4332	1.2	(5,-4,-1,0)
65.08	1.4332	2.5	(5,-1,-4,0)
66.80	1.4004	31.9	(5,-2,-3,1)
70.17	1.3412	1.0	(4,-2,-2,2)
70.20	1.3408	1.4	(5,-4,-1,1)

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Energy Properties

Formation Energy/atom

-0.89382

eV/atom

Energy/atom

-6.23107

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6739

eV/atom

Volume/atom

21.00

Å³

c/a Ratio

0.5004

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

4.5604

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.969%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4983

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.918

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)

aaadneck aaadrlxs aaaemdta aaaetzxx aaafixmu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1084759

Reference Citation

The crystal structure and related material properties of TbSnRh were obtained from the Materials Project database (MP-ID: mp-1084759, 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_TbSnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58380556
_cell_length_b   7.58380556
_cell_length_c   3.79485380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSnRh
_chemical_formula_sum   'Tb3 Sn3 Rh3'
_cell_volume   189.01664336
_cell_formula_units_Z   3
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  0.40690298  -0.00000000  0.50000000  1.0
  Tb  Tb1  1  -0.00000000  0.40690298  0.50000000  1.0
  Tb  Tb2  1  0.59309702  0.59309702  0.50000000  1.0
  Sn  Sn3  1  0.73783330  0.00000000  -0.00000000  1.0
  Sn  Sn4  1  0.00000000  0.73783330  -0.00000000  1.0
  Sn  Sn5  1  0.26216670  0.26216670  0.00000000  1.0
  Rh  Rh6  1  0.33333300  0.66666700  0.00000000  1.0
  Rh  Rh7  1  0.66666700  0.33333300  -0.00000000  1.0
  Rh  Rh8  1  -0.00000000  0.00000000  0.50000000  1.0

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