Tb4In3Au10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294878 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Tb4In3Au10

MP-ID

mp-3294878

Elements

Sites

Density

13.9423

g/cm³

Volume

702.65

Å³

Cell a

8.5733

Cell b

8.5733

Cell c

10.0978

α Angle

90.00

β Angle

90.00

γ Angle

108.79

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

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
17.57	5.0489	1.0	(0,0,2)
19.84	4.4746	1.4	(1,1,1)
20.72	4.2871	1.0	(1,0,2)
22.87	3.8881	2.9	(1,-2,1)
22.87	3.8881	2.9	(2,-1,1)
25.09	3.5496	5.9	(1,1,2)
25.56	3.4852	1.6	(2,-2,0)
31.18	2.8682	1.0	(2,-2,2)
32.07	2.7907	1.1	(1,1,3)
32.57	2.7496	1.0	(3,-1,1)
32.87	2.7249	3.0	(2,1,2)
34.09	2.6297	22.2	(2,-1,3)
34.31	2.6133	11.3	(0,3,1)
34.31	2.6133	11.3	(3,0,1)
34.56	2.5952	11.4	(3,-2,1)
34.62	2.5908	6.8	(2,0,3)
35.56	2.5244	18.1	(0,0,4)
35.99	2.4957	15.6	(2,2,0)
36.12	2.4869	100.0	(3,-1,2)
37.11	2.4228	12.2	(2,2,1)
37.30	2.4105	11.2	(1,0,4)
37.72	2.3847	5.8	(0,3,2)
37.72	2.3847	5.8	(3,0,2)
37.91	2.3736	7.2	(1,-1,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.78156

eV/atom

Energy/atom

-41.86927

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.8693

eV/atom

Volume/atom

20.67

Å³

c/a Ratio

1.1778

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0049

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Au · 0.588

Element Family

5d-TM

Solute Fraction

0.412

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9706

J/mol·K

Ω Parameter

1.9289

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.886%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6051

smaller = more stable mixing

VEC

9.118

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.147

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8726

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.686

Family

Au-rich Multi-Component

Matrix Element

Au · 0.588

Related Tasks

Related computation task IDs (1)

aaahfmcc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294878

Reference Citation

The crystal structure and related material properties of Tb4In3Au10 were obtained from the Materials Project database (MP-ID: mp-3294878, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Tb4In3Au10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57328040
_cell_length_b   8.57328092
_cell_length_c   10.09777092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.78730844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4In3Au10
_chemical_formula_sum   'Tb8 In6 Au20'
_cell_volume   702.65385561
_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  0.69864594  0.30135406  0.00000000  1.0
  Tb  Tb1  1  0.19864594  0.80135406  0.50000000  1.0
  Tb  Tb2  1  0.80069977  0.80069977  0.29951301  1.0
  Tb  Tb3  1  0.30069977  0.30069977  0.20048699  1.0
  Tb  Tb4  1  0.80135406  0.19864594  0.50000000  1.0
  Tb  Tb5  1  0.30135406  0.69864594  0.00000000  1.0
  Tb  Tb6  1  0.69930023  0.69930023  0.79951301  1.0
  Tb  Tb7  1  0.19930023  0.19930023  0.70048699  1.0
  In  In8  1  0.51564521  0.01564521  0.25000000  1.0
  In  In9  1  0.98435479  0.48435479  0.75000000  1.0
  In  In10  1  0.00000000  0.00000000  0.00000000  1.0
  In  In11  1  0.01564521  0.51564521  0.25000000  1.0
  In  In12  1  0.48435479  0.98435479  0.75000000  1.0
  In  In13  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au14  1  0.15102745  0.43064481  0.48446315  1.0
  Au  Au15  1  0.90259352  0.90259352  0.59690527  1.0
  Au  Au16  1  0.56935519  0.84897255  0.51553685  1.0
  Au  Au17  1  0.88191055  0.16217064  0.20953052  1.0
  Au  Au18  1  0.38191055  0.66217064  0.29046948  1.0
  Au  Au19  1  0.66217064  0.38191055  0.29046948  1.0
  Au  Au20  1  0.40259352  0.40259352  0.90309473  1.0
  Au  Au21  1  0.93064481  0.65102745  0.01553685  1.0
  Au  Au22  1  0.33782936  0.61808945  0.70953052  1.0
  Au  Au23  1  0.34897255  0.06935519  0.98446315  1.0
  Au  Au24  1  0.59740648  0.59740648  0.09690527  1.0
  Au  Au25  1  0.65102745  0.93064481  0.01553685  1.0
  Au  Au26  1  0.09740648  0.09740648  0.40309473  1.0
  Au  Au27  1  0.61808945  0.33782936  0.70953052  1.0
  Au  Au28  1  0.11808945  0.83782936  0.79046948  1.0
  Au  Au29  1  0.06935519  0.34897255  0.98446315  1.0
  Au  Au30  1  0.84897255  0.56935519  0.51553685  1.0
  Au  Au31  1  0.16217064  0.88191055  0.20953052  1.0
  Au  Au32  1  0.43064481  0.15102745  0.48446315  1.0
  Au  Au33  1  0.83782936  0.11808945  0.79046948  1.0

Get direct link