Tb2Tm3Rh2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296576 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Tb2Tm3Rh2

MP-ID

mp-3296576

Elements

Sites

Density

9.6713

g/cm³

Volume

353.86

Å³

Cell a

6.3797

Cell b

7.0399

Cell c

8.5591

α Angle

96.73

β Angle

111.88

γ Angle

90.00

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
14.98	5.9135	7.3	(1,0,-1)
20.13	4.4110	14.0	(1,-1,-1)
25.51	3.4917	2.9	(0,2,0)
26.47	3.3671	4.0	(1,-1,-2)
26.47	3.3671	4.0	(1,1,1)
27.97	3.1899	5.4	(2,0,-1)
29.08	3.0711	39.9	(1,2,-1)
29.26	3.0527	17.2	(0,2,1)
30.23	2.9567	3.6	(2,0,-2)
30.34	2.9462	12.8	(1,-2,-1)
30.82	2.9015	72.6	(2,1,-1)
31.67	2.8256	100.0	(1,0,-3)
32.03	2.7941	39.0	(0,2,-2)
32.16	2.7836	43.3	(1,2,-2)
32.32	2.7703	17.2	(2,1,-2)
32.32	2.7703	17.2	(2,-1,0)
32.82	2.7289	13.3	(1,1,-3)
32.82	2.7289	13.3	(1,-1,2)
33.47	2.6776	49.1	(2,-1,-2)
34.14	2.6263	12.8	(0,0,3)
35.53	2.5270	40.1	(1,-2,-2)
35.60	2.5219	40.2	(1,-1,-3)
36.24	2.4791	15.3	(2,0,-3)
36.24	2.4791	15.3	(2,0,1)

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Energy Properties

Formation Energy/atom

-0.66630

eV/atom

Energy/atom

-31.53608

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.5361

eV/atom

Volume/atom

25.28

Å³

c/a Ratio

1.3416

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1372

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0790

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9707

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4963

smaller = more stable mixing

VEC

10.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9821

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.429

Related Tasks

Related computation task IDs (1)

aaahfopk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296576

Reference Citation

The crystal structure and related material properties of Tb2Tm3Rh2 were obtained from the Materials Project database (MP-ID: mp-3296576, 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_Tb2Tm3Rh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37971823
_cell_length_b   7.03985064
_cell_length_c   8.55907626
_cell_angle_alpha   96.72979849
_cell_angle_beta   111.88145694
_cell_angle_gamma   89.99999725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Tm3Rh2
_chemical_formula_sum   'Tb4 Tm6 Rh4'
_cell_volume   353.85772987
_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  0.78760230  0.08206266  0.80764210  1.0
  Tb  Tb1  1  0.97996020  0.41793734  0.19235790  1.0
  Tb  Tb2  1  0.21239770  0.91793734  0.19235790  1.0
  Tb  Tb3  1  0.02003980  0.58206266  0.80764210  1.0
  Tm  Tm4  1  0.21017144  0.18659707  0.56485732  1.0
  Tm  Tm5  1  0.64531412  0.31340293  0.43514268  1.0
  Tm  Tm6  1  0.78982856  0.81340293  0.43514268  1.0
  Tm  Tm7  1  0.35468588  0.68659707  0.56485732  1.0
  Tm  Tm8  1  0.42731564  0.25000000  0.00000000  1.0
  Tm  Tm9  1  0.57268436  0.75000000  1.00000000  1.0
  Rh  Rh10  1  0.59303161  0.42821568  0.77637080  1.0
  Rh  Rh11  1  0.81666080  0.07178432  0.22362920  1.0
  Rh  Rh12  1  0.40696839  0.57178432  0.22362920  1.0
  Rh  Rh13  1  0.18333920  0.92821568  0.77637080  1.0

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