Tb4Er8InCo5

High-Entropy Materials HEA

MP-ID: mp-3296679 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb4Er8InCo5

MP-ID

mp-3296679

Elements

Sites

Density

9.2526

g/cm³

Volume

427.72

Å³

Cell a

8.2251

Cell b

8.2251

Cell c

8.2251

α Angle

110.65

β Angle

110.86

γ Angle

106.94

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
13.40	6.6090	2.1	(0,0,1)
26.35	3.3830	2.3	(2,0,-2)
26.38	3.3782	9.9	(2,0,0)
26.98	3.3045	4.1	(0,0,2)
28.97	3.0820	9.2	(2,1,-2)
28.98	3.0811	15.0	(2,1,-1)
30.06	2.9725	23.8	(2,-1,-2)
30.14	2.9652	1.7	(2,-1,1)
30.14	2.9652	1.7	(1,-2,2)
30.21	2.9589	8.6	(1,-1,-2)
30.27	2.9524	26.9	(1,-1,2)
32.69	2.7390	100.0	(3,-1,-1)
34.86	2.5734	2.4	(3,0,-2)
34.89	2.5718	47.8	(3,0,-1)
35.45	2.5324	34.1	(3,-1,-2)
35.45	2.5324	11.4	(1,-3,0)
35.51	2.5283	4.1	(3,-1,0)
35.51	2.5283	1.4	(1,-3,2)
35.82	2.5072	20.2	(1,0,-3)
35.85	2.5047	24.2	(1,0,2)
36.71	2.4481	12.9	(2,2,-2)
38.47	2.3398	7.1	(2,-2,-2)
38.58	2.3335	20.0	(2,-2,2)
39.24	2.2957	2.0	(2,2,-3)

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Energy Properties

Formation Energy/atom

-0.20434

eV/atom

Energy/atom

-27.15206

eV/atom

Energy above Hull

0.0060

eV/atom

Uncorrected Energy

-27.1521

eV/atom

Volume/atom

23.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1870

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000440

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 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

15.8136

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.813%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3211

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.068

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfotj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296679

Reference Citation

The crystal structure and related material properties of Tb4Er8InCo5 were obtained from the Materials Project database (MP-ID: mp-3296679, 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_Tb4Er8InCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22505661
_cell_length_b   8.22505586
_cell_length_c   8.22505640
_cell_angle_alpha   110.64610381
_cell_angle_beta   110.86120460
_cell_angle_gamma   106.93579398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Er8InCo5
_chemical_formula_sum   'Tb4 Er8 In1 Co5'
_cell_volume   427.71886075
_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  0.28893199  0.18595662  0.47488861  1.0
  Tb  Tb1  1  0.71106801  0.81404338  0.52511139  1.0
  Tb  Tb2  1  0.28893199  0.81404338  0.10297437  1.0
  Tb  Tb3  1  0.71106801  0.18595662  0.89702563  1.0
  Er  Er4  1  0.62011701  0.31483629  0.30528172  1.0
  Er  Er5  1  0.37988299  0.68516371  0.69471828  1.0
  Er  Er6  1  0.00955458  0.31483629  0.69471828  1.0
  Er  Er7  1  0.99044542  0.68516371  0.30528172  1.0
  Er  Er8  1  0.21294288  0.40710344  0.19415955  1.0
  Er  Er9  1  0.78705712  0.59289656  0.80584045  1.0
  Er  Er10  1  0.21294288  0.01878333  0.80584045  1.0
  Er  Er11  1  0.78705712  0.98121667  0.19415955  1.0
  In  In12  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co13  1  0.00000000  0.38055958  0.38055958  1.0
  Co  Co14  1  1.00000000  0.61944042  0.61944042  1.0
  Co  Co15  1  0.38831534  0.88831534  0.50000000  1.0
  Co  Co16  1  0.61168466  0.11168466  0.50000000  1.0
  Co  Co17  1  0.00000000  0.00000000  0.00000000  1.0

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