TbTm11InCo5

High-Entropy Materials HEA

MP-ID: mp-3296471 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

TbTm11InCo5

MP-ID

mp-3296471

Elements

Sites

Density

9.6973

g/cm³

Volume

415.54

Å³

Cell a

8.1473

Cell b

8.1473

Cell c

8.1467

α Angle

110.57

β Angle

111.16

γ Angle

106.72

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
13.24	6.6869	1.5	(0,1,-1)
13.54	6.5373	2.9	(1,-1,0)
13.55	6.5366	1.5	(0,0,1)
26.56	3.3566	2.6	(0,2,0)
26.56	3.3566	2.6	(2,0,-2)
26.66	3.3434	21.6	(0,2,-2)
27.28	3.2687	4.0	(2,-2,0)
27.29	3.2683	4.2	(0,0,2)
29.18	3.0600	19.6	(1,2,-1)
29.21	3.0575	29.1	(1,2,-2)
30.32	2.9476	49.1	(1,-2,-1)
30.49	2.9323	8.1	(2,-2,-1)
30.49	2.9321	8.4	(1,-1,-2)
30.54	2.9276	3.5	(1,-2,2)
30.54	2.9276	3.5	(2,-1,1)
30.67	2.9148	26.3	(2,-2,1)
30.67	2.9146	26.7	(1,-1,2)
33.02	2.7126	50.9	(1,-3,1)
33.02	2.7126	50.9	(3,-1,-1)
33.02	2.7124	100.0	(1,1,1)
35.15	2.5531	1.1	(0,3,-1)
35.15	2.5531	1.1	(3,0,-2)
35.15	2.5530	2.4	(1,2,0)
35.21	2.5487	23.4	(0,3,-2)

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Energy Properties

Formation Energy/atom

-0.23812

eV/atom

Energy/atom

-28.36632

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.3663

eV/atom

Volume/atom

23.09

Å³

c/a Ratio

0.9999

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1318

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.611

Element Family

Lanthanide

Solute Fraction

0.389

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9779

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1305

J/mol·K

Ω Parameter

13.0635

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.813%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2977

smaller = more stable mixing

VEC

11.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.068

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7054

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfolj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296471

Reference Citation

The crystal structure and related material properties of TbTm11InCo5 were obtained from the Materials Project database (MP-ID: mp-3296471, 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_TbTm11InCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14725017
_cell_length_b   8.14725125
_cell_length_c   8.14672499
_cell_angle_alpha   110.56833450
_cell_angle_beta   111.16034632
_cell_angle_gamma   106.72284857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTm11InCo5
_chemical_formula_sum   'Tb1 Tm11 In1 Co5'
_cell_volume   415.53733875
_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  0.28895695  0.18474943  0.47370538  1.0
  Tm  Tm1  1  0.71169911  0.81533249  0.52703261  1.0
  Tm  Tm2  1  0.28960259  0.81333539  0.10293798  1.0
  Tm  Tm3  1  0.71231250  0.18493073  0.89724423  1.0
  Tm  Tm4  1  0.61952603  0.31474179  0.30438542  1.0
  Tm  Tm5  1  0.38110652  0.68690734  0.69600285  1.0
  Tm  Tm6  1  0.00909452  0.31489633  0.69600285  1.0
  Tm  Tm7  1  0.98964462  0.68485939  0.30438542  1.0
  Tm  Tm8  1  0.21442148  0.41077368  0.19469404  1.0
  Tm  Tm9  1  0.78779971  0.59303451  0.80686815  1.0
  Tm  Tm10  1  0.21383464  0.01906944  0.80686815  1.0
  Tm  Tm11  1  0.78391936  0.98027056  0.19469404  1.0
  In  In12  1  0.50023426  0.50018717  0.00042243  1.0
  Co  Co13  1  0.99771530  0.37968864  0.37740394  1.0
  Co  Co14  1  0.00073018  0.62046406  0.62119424  1.0
  Co  Co15  1  0.38927292  0.88601512  0.49893076  1.0
  Co  Co16  1  0.61291464  0.10965784  0.49893076  1.0
  Co  Co17  1  0.99721166  0.00108608  0.99829775  1.0

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