Tb12ZnCo4Pb

High-Entropy Materials HEA

MP-ID: mp-3296337 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb12ZnCo4Pb

MP-ID

mp-3296337

Elements

Sites

Density

8.9816

g/cm³

Volume

446.57

Å³

Cell a

8.3443

Cell b

8.3443

Cell c

8.3443

α Angle

111.96

β Angle

108.79

γ Angle

107.70

Space Group

Immm

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
12.80	6.9154	1.8	(0,1,-1)
19.01	4.6686	1.1	(1,-1,-1)
22.37	3.9736	1.0	(2,0,-1)
22.52	3.9480	3.3	(1,-2,1)
22.98	3.8694	1.5	(1,-2,0)
26.31	3.3874	11.3	(0,2,0)
26.48	3.3662	2.4	(2,-2,0)
28.71	3.1090	10.7	(1,2,-2)
28.84	3.0959	6.4	(1,2,-1)
28.84	3.0959	6.4	(2,1,-2)
29.02	3.0766	28.1	(1,-2,2)
29.18	3.0599	4.4	(2,-2,1)
30.15	2.9641	33.8	(2,-2,-1)
32.22	2.7786	100.0	(3,-1,-1)
34.51	2.5987	58.6	(1,-3,2)
34.66	2.5877	23.9	(0,3,-1)
34.66	2.5877	23.9	(3,0,-2)
34.93	2.5689	19.2	(2,-3,1)
34.93	2.5689	6.4	(0,1,-3)
35.35	2.5392	1.5	(1,-3,0)
35.45	2.5325	7.7	(2,-3,0)
35.45	2.5325	23.0	(0,1,2)
36.51	2.4612	14.9	(2,2,-2)
37.01	2.4291	9.5	(2,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.24022

eV/atom

Energy/atom

-27.62076

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6208

eV/atom

Volume/atom

24.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2069

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000460

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

13.1290

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.410%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4024

smaller = more stable mixing

VEC

8.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.909

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfogf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296337

Reference Citation

The crystal structure and related material properties of Tb12ZnCo4Pb were obtained from the Materials Project database (MP-ID: mp-3296337, 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_Tb12ZnCo4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34428666
_cell_length_b   8.34428812
_cell_length_c   8.34428642
_cell_angle_alpha   111.95753282
_cell_angle_beta   108.78689555
_cell_angle_gamma   107.69990539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb12ZnCo4Pb
_chemical_formula_sum   'Tb12 Zn1 Co4 Pb1'
_cell_volume   446.57228721
_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  0.02575354  0.72576017  0.29999338  1.0
  Tb  Tb1  1  0.97424646  0.27423983  0.70000662  1.0
  Tb  Tb2  1  0.57423221  0.27423983  0.29999338  1.0
  Tb  Tb3  1  0.42576779  0.72576017  0.70000662  1.0
  Tb  Tb4  1  0.67509226  0.86115488  0.18606261  1.0
  Tb  Tb5  1  0.32490774  0.51097135  0.18606261  1.0
  Tb  Tb6  1  0.32490774  0.13884512  0.81393739  1.0
  Tb  Tb7  1  0.67509226  0.48902865  0.81393739  1.0
  Tb  Tb8  1  0.17927836  0.21668108  0.39595945  1.0
  Tb  Tb9  1  0.82072164  0.21668108  0.03740172  1.0
  Tb  Tb10  1  0.17927836  0.78331892  0.96259828  1.0
  Tb  Tb11  1  0.82072164  0.78331892  0.60404055  1.0
  Zn  Zn12  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co13  1  0.65559711  0.50000000  0.15559711  1.0
  Co  Co14  1  0.34440289  0.50000000  0.84440289  1.0
  Co  Co15  1  0.88767689  0.88767689  1.00000000  1.0
  Co  Co16  1  0.11232311  0.11232311  0.00000000  1.0
  Pb  Pb17  1  0.50000000  0.00000000  0.50000000  1.0

Get direct link