Tb8Y4Co5Sb

High-Entropy Materials HEA

MP-ID: mp-3296053 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb8Y4Co5Sb

MP-ID

mp-3296053

Elements

Sites

Density

7.6308

g/cm³

Volume

444.67

Å³

Cell a

8.3323

Cell b

8.3323

Cell c

8.3323

α Angle

111.09

β Angle

110.38

γ Angle

106.98

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
12.90	6.8646	2.8	(1,0,0)
12.96	6.8324	3.1	(1,0,-1)
12.96	6.8324	3.1	(0,1,0)
13.22	6.6968	3.0	(0,0,1)
17.89	4.9574	8.2	(1,1,-1)
18.65	4.7568	3.9	(1,-1,1)
18.82	4.7142	6.3	(1,-1,-1)
22.78	3.9039	3.7	(2,-1,0)
26.08	3.4162	3.0	(2,0,-2)
26.62	3.3484	13.7	(0,0,2)
28.59	3.1219	8.4	(2,1,-1)
28.62	3.1189	11.4	(2,1,-2)
28.62	3.1189	11.4	(1,2,-1)
29.57	3.0205	20.8	(2,-1,1)
29.72	3.0058	16.1	(1,-1,2)
29.94	2.9842	38.0	(1,-1,-2)
32.26	2.7748	100.0	(3,-1,-1)
32.26	2.7748	33.3	(1,-3,1)
34.38	2.6082	3.5	(1,2,-3)
34.46	2.6029	64.3	(2,1,-3)
34.91	2.5702	65.5	(0,2,-3)
35.10	2.5567	12.6	(2,0,-3)
35.29	2.5432	7.6	(0,1,-3)
35.29	2.5432	7.6	(3,-2,0)

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Energy Properties

Formation Energy/atom

-0.24665

eV/atom

Energy/atom

-23.74351

eV/atom

Energy above Hull

0.0109

eV/atom

Uncorrected Energy

-23.7435

eV/atom

Volume/atom

24.70

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4036

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000910

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.444

Element Family

Lanthanide

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

1.6688

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.492%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3670

smaller = more stable mixing

VEC

7.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.046

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnvh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296053

Reference Citation

The crystal structure and related material properties of Tb8Y4Co5Sb were obtained from the Materials Project database (MP-ID: mp-3296053, 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_Tb8Y4Co5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33229377
_cell_length_b   8.33229342
_cell_length_c   8.33229402
_cell_angle_alpha   111.08721356
_cell_angle_beta   110.37553074
_cell_angle_gamma   106.98010705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8Y4Co5Sb
_chemical_formula_sum   'Tb8 Y4 Co5 Sb1'
_cell_volume   444.67373260
_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  0.68919638  0.38185233  0.69265695  1.0
  Tb  Tb1  1  0.31080362  0.61814767  0.30734305  1.0
  Tb  Tb2  1  0.68919638  0.99653843  0.30734305  1.0
  Tb  Tb3  1  0.31080362  0.00346157  0.69265695  1.0
  Tb  Tb4  1  0.59421766  0.79109204  0.80312661  1.0
  Tb  Tb5  1  0.40578234  0.20890796  0.19687339  1.0
  Tb  Tb6  1  0.98796543  0.79109204  0.19687339  1.0
  Tb  Tb7  1  0.01203457  0.20890796  0.80312661  1.0
  Y  Y8  1  0.81632619  0.71122662  0.52755181  1.0
  Y  Y9  1  0.18367381  0.28877338  0.47244819  1.0
  Y  Y10  1  0.18367381  0.71122662  0.89490042  1.0
  Y  Y11  1  0.81632619  0.28877338  0.10509958  1.0
  Co  Co12  1  0.61817153  0.00000000  0.61817153  1.0
  Co  Co13  1  0.38182847  1.00000000  0.38182847  1.0
  Co  Co14  1  0.10932920  0.60932920  0.50000000  1.0
  Co  Co15  1  0.89067080  0.39067080  0.50000000  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb17  1  0.50000000  0.50000000  0.00000000  1.0

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