Tb10RuRh3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295721 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb10RuRh3

MP-ID

mp-3295721

Elements

Sites

Density

9.0835

g/cm³

Volume

365.44

Å³

Cell a

6.4346

Cell b

7.1456

Cell c

8.6541

α Angle

96.45

β Angle

112.30

γ Angle

89.93

Space Group

Point Group

Crystal System

Triclinic

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
11.13	7.9480	2.2	(0,0,1)
14.81	5.9815	2.6	(1,0,-1)
14.90	5.9472	3.0	(1,0,0)
19.85	4.4731	17.4	(1,-1,-1)
19.91	4.4594	16.4	(1,1,0)
22.37	3.9740	1.9	(0,0,2)
25.11	3.5466	4.8	(0,2,0)
26.07	3.4178	6.9	(1,-1,-2)
26.22	3.3989	6.9	(1,1,1)
26.25	3.3952	1.5	(0,2,-1)
27.73	3.2172	9.9	(2,0,-1)
28.67	3.1137	36.8	(1,2,-1)
28.72	3.1083	37.4	(1,-2,0)
28.78	3.1022	35.1	(0,2,1)
29.87	2.9913	12.6	(1,-2,-1)
29.88	2.9907	3.7	(2,0,-2)
29.91	2.9874	13.2	(1,2,0)
30.05	2.9736	4.0	(2,0,0)
30.51	2.9301	69.0	(2,1,-1)
30.51	2.9297	70.2	(2,-1,-1)
31.28	2.8597	97.5	(1,0,-3)
31.49	2.8410	100.0	(1,0,2)
31.72	2.8210	75.7	(0,2,-2)
31.75	2.8183	45.3	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.56696

eV/atom

Energy/atom

-29.85964

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.8596

eV/atom

Volume/atom

26.10

Å³

c/a Ratio

1.3449

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7150

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001960

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

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

0.5244

smaller = more stable mixing

VEC

8.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnin

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295721

Reference Citation

The crystal structure and related material properties of Tb10RuRh3 were obtained from the Materials Project database (MP-ID: mp-3295721, 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_Tb10RuRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43457121
_cell_length_b   7.14560558
_cell_length_c   8.65413401
_cell_angle_alpha   96.45011751
_cell_angle_beta   112.30162721
_cell_angle_gamma   89.93240948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb10RuRh3
_chemical_formula_sum   'Tb10 Ru1 Rh3'
_cell_volume   365.44136838
_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  0.98239653  0.91527843  0.18896167  1.0
  Tb  Tb1  1  0.79185997  0.58496167  0.81008770  1.0
  Tb  Tb2  1  0.02181017  0.08483363  0.81534878  1.0
  Tb  Tb3  1  0.20997756  0.41393471  0.19026192  1.0
  Tb  Tb4  1  0.64665911  0.81500800  0.43324469  1.0
  Tb  Tb5  1  0.21283131  0.68669015  0.56514682  1.0
  Tb  Tb6  1  0.35210513  0.18618162  0.56247266  1.0
  Tb  Tb7  1  0.78323732  0.31194139  0.43432962  1.0
  Tb  Tb8  1  0.42809633  0.75111092  0.00162778  1.0
  Tb  Tb9  1  0.57280742  0.25062029  0.00034537  1.0
  Ru  Ru10  1  0.39345196  0.07182300  0.21783592  1.0
  Rh  Rh11  1  0.82644702  0.57203112  0.22475483  1.0
  Rh  Rh12  1  0.60193042  0.92724627  0.77978853  1.0
  Rh  Rh13  1  0.17639076  0.42833881  0.77579470  1.0

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