Tb2InCu2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079779 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Tb2InCu2

MP-ID

mp-1079779

Elements

Sites

Density

8.8306

g/cm³

Volume

210.52

Å³

Cell a

7.4690

Cell b

7.4690

Cell c

3.7737

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
23.58	3.7737	2.2	(0,0,1)
23.83	3.7345	3.5	(2,0,0)
26.69	3.3402	17.9	(2,1,0)
26.69	3.3402	17.9	(2,-1,0)
29.08	3.0704	19.9	(1,1,1)
33.77	2.6545	100.0	(2,0,1)
33.95	2.6407	12.7	(2,2,0)
33.95	2.6407	12.7	(2,-2,0)
35.90	2.5012	96.6	(2,1,1)
35.90	2.5012	96.7	(2,-1,1)
38.10	2.3619	41.7	(3,1,0)
38.10	2.3619	41.6	(3,-1,0)
43.70	2.0715	4.9	(3,2,0)
43.70	2.0715	4.9	(3,-2,0)
48.23	1.8869	32.0	(0,0,2)
48.77	1.8673	3.4	(4,0,0)
50.24	1.8159	1.9	(3,2,1)
50.24	1.8159	1.9	(3,-2,1)
50.37	1.8115	13.0	(4,1,0)
50.37	1.8115	13.0	(4,-1,0)
51.94	1.7605	5.0	(3,3,0)
51.94	1.7605	5.0	(3,-3,0)
54.86	1.6736	2.5	(4,0,1)
54.98	1.6701	3.9	(4,2,0)

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Energy Properties

Formation Energy/atom

-0.44478

eV/atom

Energy/atom

-21.78979

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7898

eV/atom

Volume/atom

21.05

Å³

c/a Ratio

0.5053

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

8.7757

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.175%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3749

smaller = more stable mixing

VEC

8.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.280

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.400

Related Tasks

Related computation task IDs (5)

aaadmgjv aaadsmbg aaaemupq aaaeruys aaafiycg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079779

Reference Citation

The crystal structure and related material properties of Tb2InCu2 were obtained from the Materials Project database (MP-ID: mp-1079779, 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_Tb2InCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46898899
_cell_length_b   7.46898899
_cell_length_c   3.77371780
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99995627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2InCu2
_chemical_formula_sum   'Tb4 In2 Cu4'
_cell_volume   210.51985336
_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  0.67283182  0.17283182  0.50000000  1.0
  Tb  Tb1  1  0.32716818  0.82716818  0.50000000  1.0
  Tb  Tb2  1  0.17282628  0.32717372  0.50000000  1.0
  Tb  Tb3  1  0.82717372  0.67282628  0.50000000  1.0
  In  In4  1  0.50000000  0.50000000  0.00000000  1.0
  In  In5  1  -0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.11991294  0.61991294  -0.00000000  1.0
  Cu  Cu7  1  0.88008706  0.38008706  -0.00000000  1.0
  Cu  Cu8  1  0.61996959  0.88003041  0.00000000  1.0
  Cu  Cu9  1  0.38003041  0.11996959  0.00000000  1.0

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