Tb4Zn9CdIn2

High-Entropy Materials HEA

MP-ID: mp-3296577 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb4Zn9CdIn2

MP-ID

mp-3296577

Elements

Sites

Density

8.3433

g/cm³

Volume

311.76

Å³

Cell a

4.4164

Cell b

7.0977

Cell c

9.9457

α Angle

89.81

β Angle

90.00

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
21.79	4.0790	4.9	(0,1,2)
21.86	4.0665	3.5	(0,1,-2)
22.02	4.0364	8.6	(1,0,1)
25.09	3.5488	3.4	(0,2,0)
25.37	3.5107	10.7	(1,1,1)
25.40	3.5067	5.4	(1,1,-1)
26.64	3.3459	2.4	(0,2,1)
26.70	3.3390	7.0	(0,2,-1)
26.89	3.3152	1.1	(0,0,3)
29.71	3.0075	4.8	(0,1,3)
29.78	3.0000	7.5	(0,1,-3)
29.82	2.9965	25.3	(1,1,2)
29.87	2.9915	28.0	(1,1,-2)
30.91	2.8932	2.1	(0,2,2)
31.01	2.8842	3.5	(0,2,-2)
32.36	2.7664	16.5	(1,2,0)
33.60	2.6670	81.5	(1,2,1)
33.65	2.6634	67.2	(1,2,-1)
33.81	2.6513	18.0	(1,0,3)
36.12	2.4864	20.0	(0,0,4)
36.13	2.4858	83.5	(1,1,3)
36.20	2.4816	100.0	(1,1,-3)
37.15	2.4201	31.5	(1,2,2)
37.17	2.4187	1.3	(0,2,-3)

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Energy Properties

Formation Energy/atom

-0.44115

eV/atom

Energy/atom

-17.33886

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.3389

eV/atom

Volume/atom

19.49

Å³

c/a Ratio

2.2520

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0227

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.563

Element Family

3d-TM

Solute Fraction

0.438

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1034

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1739

J/mol·K

Ω Parameter

3.1218

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.268%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2525

smaller = more stable mixing

VEC

10.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.609

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7960

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfopl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296577

Reference Citation

The crystal structure and related material properties of Tb4Zn9CdIn2 were obtained from the Materials Project database (MP-ID: mp-3296577, 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_Tb4Zn9CdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41642644
_cell_length_b   7.09768520
_cell_length_c   9.94571373
_cell_angle_alpha   89.81257766
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Zn9CdIn2
_chemical_formula_sum   'Tb4 Zn9 Cd1 In2'
_cell_volume   311.76069851
_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  0.25000000  0.30845992  0.67214369  1.0
  Tb  Tb1  1  0.25000000  0.81102339  0.82226591  1.0
  Tb  Tb2  1  0.75000000  0.69301260  0.33248991  1.0
  Tb  Tb3  1  0.75000000  0.19273604  0.17046211  1.0
  Zn  Zn4  1  0.75000000  0.97307843  0.59984620  1.0
  Zn  Zn5  1  0.25000000  0.91194557  0.14566206  1.0
  Zn  Zn6  1  0.25000000  0.40934806  0.35743691  1.0
  Zn  Zn7  1  0.75000000  0.09094074  0.84460520  1.0
  Zn  Zn8  1  0.75000000  0.60201676  0.64624588  1.0
  Zn  Zn9  1  0.25000000  0.18270745  0.96013563  1.0
  Zn  Zn10  1  0.25000000  0.68432842  0.53871862  1.0
  Zn  Zn11  1  0.75000000  0.81444995  0.03633510  1.0
  Zn  Zn12  1  0.75000000  0.30156807  0.46589403  1.0
  Cd  Cd13  1  0.75000000  0.47025411  0.90023518  1.0
  In  In14  1  0.25000000  0.52841220  0.09804774  1.0
  In  In15  1  0.25000000  0.02571930  0.40947783  1.0

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