TbCoSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-646450 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

TbCoSn

MP-ID

mp-646450

Elements

Sites

Density

8.7485

g/cm³

Volume

255.54

Å³

Cell a

4.5847

Cell b

7.3925

Cell c

7.5397

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
16.80	5.2786	3.1	(0,1,-1)
16.80	5.2785	3.1	(0,1,1)
22.70	3.9173	11.3	(1,0,-1)
22.70	3.9173	11.3	(1,0,1)
23.60	3.7698	12.1	(0,0,2)
24.08	3.6962	1.5	(0,2,0)
25.74	3.4614	4.8	(1,1,-1)
25.74	3.4614	4.8	(1,-1,-1)
25.74	3.4614	4.8	(1,-1,1)
25.74	3.4614	4.8	(1,1,1)
26.54	3.3584	15.5	(0,1,-2)
26.54	3.3584	15.6	(0,1,2)
26.86	3.3189	1.6	(0,2,-1)
26.86	3.3189	1.6	(0,2,1)
31.08	2.8775	2.1	(1,2,0)
31.08	2.8775	2.1	(1,-2,0)
33.06	2.7093	20.9	(1,1,-2)
33.06	2.7093	20.9	(1,-1,-2)
33.06	2.7092	20.9	(1,-1,2)
33.06	2.7092	20.9	(1,1,2)
33.33	2.6884	66.0	(1,2,-1)
33.33	2.6884	66.0	(1,-2,-1)
33.33	2.6884	66.0	(1,-2,1)
33.33	2.6884	66.0	(1,2,1)

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Energy Properties

Formation Energy/atom

-0.47753

eV/atom

Energy/atom

-5.73782

eV/atom

Energy above Hull

0.0069

eV/atom

Uncorrected Energy

-23.5683

eV/atom

Volume/atom

21.29

Å³

c/a Ratio

1.6445

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.7663

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.022570

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.6432

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.582%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3879

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.495

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.425

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Related Tasks

Related computation task IDs (5)

aaadmytu aaadstsz aaaekobs aaaetxom aaafsesb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-646450

Reference Citation

The crystal structure and related material properties of TbCoSn were obtained from the Materials Project database (MP-ID: mp-646450, 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_TbCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58467387
_cell_length_b   7.39247035
_cell_length_c   7.53967504
_cell_angle_alpha   90.00019406
_cell_angle_beta   90.00048253
_cell_angle_gamma   89.99994977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCoSn
_chemical_formula_sum   'Tb4 Co4 Sn4'
_cell_volume   255.53516159
_cell_formula_units_Z   4
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  0.25000227  0.98134451  0.21347495  1.0
  Tb  Tb1  1  0.75000464  0.51864118  0.71352436  1.0
  Tb  Tb2  1  0.25000606  0.48137708  0.28648913  1.0
  Tb  Tb3  1  0.75000650  0.01863725  0.78651096  1.0
  Co  Co4  1  0.24999728  0.15635115  0.56737016  1.0
  Co  Co5  1  0.24999453  0.65635695  0.93263048  1.0
  Co  Co6  1  0.74999865  0.34365311  0.06738915  1.0
  Co  Co7  1  0.74998516  0.84365249  0.43260644  1.0
  Sn  Sn8  1  0.75000006  0.71069671  0.09957051  1.0
  Sn  Sn9  1  0.24999796  0.78930125  0.59951089  1.0
  Sn  Sn10  1  0.75000230  0.21067118  0.40041971  1.0
  Sn  Sn11  1  0.25000159  0.28931213  0.90050326  1.0

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