Tb9HoRh4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292058 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Tb9HoRh4

MP-ID

mp-3292058

Elements

Sites

Density

9.0984

g/cm³

Volume

366.27

Å³

Cell a

6.4196

Cell b

7.0941

Cell c

8.7151

α Angle

96.47

β Angle

111.61

γ Angle

90.00

Space Group

Point Group

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
11.00	8.0427	2.1	(0,0,1)
14.86	5.9623	6.0	(1,0,-1)
19.94	4.4527	24.2	(1,-1,-1)
22.10	4.0213	1.6	(0,0,2)
25.30	3.5209	3.5	(0,2,0)
26.08	3.4172	9.8	(1,-1,-2)
27.79	3.2098	9.2	(2,0,-1)
28.86	3.0932	55.3	(1,2,-1)
28.89	3.0906	25.8	(0,2,1)
29.97	2.9812	5.2	(2,0,-2)
30.05	2.9738	21.3	(1,2,0)
30.61	2.9207	100.0	(2,1,-1)
31.10	2.8761	77.0	(1,0,-3)
31.10	2.8761	77.0	(1,0,2)
31.68	2.8241	57.4	(0,2,-2)
31.88	2.8075	65.7	(1,2,-2)
32.07	2.7907	26.5	(2,1,-2)
32.07	2.7907	26.5	(2,-1,0)
32.32	2.7698	18.3	(1,1,-3)
32.32	2.7698	18.3	(1,-1,2)
33.15	2.7020	65.2	(2,-1,-2)
33.42	2.6809	22.0	(0,0,3)
34.95	2.5670	61.2	(1,-1,-3)
35.05	2.5602	61.2	(1,-2,-2)

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Energy Properties

Formation Energy/atom

-0.63313

eV/atom

Energy/atom

-29.95200

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.9520

eV/atom

Volume/atom

26.16

Å³

c/a Ratio

1.3576

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4142

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001130

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.643

Element Family

Lanthanide

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8305

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9045

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

0.5282

smaller = more stable mixing

VEC

9.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7559

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.613

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.643

Related Tasks

Related computation task IDs (1)

aaahfhxq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292058

Reference Citation

The crystal structure and related material properties of Tb9HoRh4 were obtained from the Materials Project database (MP-ID: mp-3292058, 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_Tb9HoRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41962327
_cell_length_b   7.09405714
_cell_length_c   8.71505931
_cell_angle_alpha   96.47190029
_cell_angle_beta   111.61120646
_cell_angle_gamma   89.99999827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb9HoRh4
_chemical_formula_sum   'Tb9 Ho1 Rh4'
_cell_volume   366.27224033
_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  0.98210862  0.91701429  0.18910263  1.0
  Tb  Tb1  1  0.79300699  0.58298571  0.81089737  1.0
  Tb  Tb2  1  0.01662511  0.08422759  0.81119908  1.0
  Tb  Tb3  1  0.20542703  0.41577241  0.18880092  1.0
  Tb  Tb4  1  0.64928078  0.81283715  0.43446722  1.0
  Tb  Tb5  1  0.21481456  0.68716285  0.56553278  1.0
  Tb  Tb6  1  0.35270714  0.18724087  0.56648128  1.0
  Tb  Tb7  1  0.78622586  0.31275913  0.43351872  1.0
  Tb  Tb8  1  0.42834892  0.75000000  0.00000000  1.0
  Ho  Ho9  1  0.57026931  0.25000000  1.00000000  1.0
  Rh  Rh10  1  0.81909206  0.57216142  0.22069535  1.0
  Rh  Rh11  1  0.59839772  0.92783858  0.77930465  1.0
  Rh  Rh12  1  0.18103228  0.42691693  0.77836968  1.0
  Rh  Rh13  1  0.40266260  0.07308307  0.22163032  1.0

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