Tb8TmRh6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296578 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

Tb8TmRh6

MP-ID

mp-3296578

Elements

Sites

Density

9.8199

g/cm³

Volume

347.97

Å³

Cell a

7.3822

Cell b

7.3822

Cell c

7.3822

α Angle

70.86

β Angle

70.86

γ Angle

70.86

Space Group

R-3

Point Group

-3

Crystal System

Trigonal

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
13.10	6.7585	19.5	(1,0,0)
20.75	4.2798	4.0	(1,0,-1)
24.62	3.6158	2.8	(1,1,-1)
24.62	3.6158	1.4	(1,-1,-1)
26.37	3.3792	1.9	(2,0,0)
26.42	3.3740	10.2	(2,1,0)
29.71	3.0075	41.4	(2,2,1)
32.41	2.7620	44.2	(2,-1,0)
32.41	2.7620	22.1	(2,0,-1)
32.52	2.7534	24.3	(2,2,0)
32.66	2.7421	35.0	(2,2,2)
33.80	2.6522	100.0	(2,1,-1)
36.36	2.4709	82.1	(2,-1,-1)
36.52	2.4607	3.1	(1,3,1)
36.52	2.4607	6.3	(3,1,1)
38.89	2.3156	23.0	(3,0,1)
38.89	2.3156	45.1	(3,1,0)
39.01	2.3088	25.4	(2,3,1)
39.01	2.3088	55.6	(3,2,1)
40.02	2.2528	2.1	(2,2,-1)
42.37	2.1332	3.8	(3,2,0)
42.37	2.1332	7.4	(3,0,2)
44.41	2.0401	12.7	(2,1,-2)
45.47	1.9946	1.5	(1,-3,0)

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Energy Properties

Formation Energy/atom

-0.81959

eV/atom

Energy/atom

-29.46958

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.4696

eV/atom

Volume/atom

23.20

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2925

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.533

Element Family

Lanthanide

Solute Fraction

0.467

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8823

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3355

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.664%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5711

smaller = more stable mixing

VEC

9.267

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8031

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.562

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.533

Related Tasks

Related computation task IDs (1)

aaahfopm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296578

Reference Citation

The crystal structure and related material properties of Tb8TmRh6 were obtained from the Materials Project database (MP-ID: mp-3296578, 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_Tb8TmRh6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38222607
_cell_length_b   7.38222688
_cell_length_c   7.38222586
_cell_angle_alpha   70.86448699
_cell_angle_beta   70.86448306
_cell_angle_gamma   70.86448415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8TmRh6
_chemical_formula_sum   'Tb8 Tm1 Rh6'
_cell_volume   347.96607506
_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
  Tb  Tb0  1  0.79873038  0.79873038  0.79873038  1.0
  Tb  Tb1  1  0.20126962  0.20126962  0.20126962  1.0
  Tb  Tb2  1  0.15795932  0.39159257  0.66720746  1.0
  Tb  Tb3  1  0.66720746  0.15795932  0.39159257  1.0
  Tb  Tb4  1  0.39159257  0.66720746  0.15795932  1.0
  Tb  Tb5  1  0.84204068  0.60840743  0.33279254  1.0
  Tb  Tb6  1  0.33279254  0.84204068  0.60840743  1.0
  Tb  Tb7  1  0.60840743  0.33279254  0.84204068  1.0
  Tm  Tm8  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh9  1  0.95401405  0.16436788  0.59261443  1.0
  Rh  Rh10  1  0.59261443  0.95401405  0.16436788  1.0
  Rh  Rh11  1  0.16436788  0.59261443  0.95401405  1.0
  Rh  Rh12  1  0.04598595  0.83563212  0.40738557  1.0
  Rh  Rh13  1  0.40738557  0.04598595  0.83563212  1.0
  Rh  Rh14  1  0.83563212  0.40738557  0.04598595  1.0

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