Tb2Ni2Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078771 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Tb2Ni2Sn

MP-ID

mp-1078771

Elements

Sites

Density

9.3217

g/cm³

Volume

197.36

Å³

Cell a

3.6470

Cell b

7.3563

Cell c

7.3563

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
24.20	3.6781	2.4	(0,2,0)
24.41	3.6470	1.4	(1,0,0)
27.10	3.2898	21.0	(0,2,1)
29.92	2.9862	11.3	(1,1,1)
34.48	2.6008	16.7	(0,2,2)
34.64	2.5898	61.5	(1,2,0)
36.79	2.4428	100.0	(1,2,1)
38.71	2.3263	45.3	(0,3,1)
44.40	2.0403	6.3	(0,3,2)
50.02	1.8235	16.9	(2,0,0)
51.20	1.7842	16.0	(0,4,1)
51.31	1.7806	1.2	(1,3,2)
52.80	1.7339	4.8	(0,3,3)
55.90	1.6449	4.3	(0,4,2)
56.00	1.6421	1.2	(1,4,0)
57.50	1.6027	18.3	(1,4,1)
57.81	1.5949	5.5	(2,2,1)
58.99	1.5659	18.9	(1,3,3)
62.17	1.4931	6.2	(2,2,2)
64.98	1.4351	19.7	(2,3,1)
69.08	1.3596	3.2	(2,3,2)
70.15	1.3415	14.2	(1,5,1)
72.72	1.3004	2.5	(0,4,4)
74.12	1.2792	7.5	(1,5,2)

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Energy Properties

Formation Energy/atom

-0.58047

eV/atom

Energy/atom

-5.54958

eV/atom

Energy above Hull

0.0038

eV/atom

Uncorrected Energy

-22.8276

eV/atom

Volume/atom

19.74

Å³

c/a Ratio

2.0171

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.1985

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.231%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4054

smaller = more stable mixing

VEC

8.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.760

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.465

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.400

Related Tasks

Related computation task IDs (5)

aaadncxe aaadszqm aaaekpvt aaaetwlu aaafsexz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078771

Reference Citation

The crystal structure and related material properties of Tb2Ni2Sn were obtained from the Materials Project database (MP-ID: mp-1078771, 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_Tb2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64698465
_cell_length_b   7.35628306
_cell_length_c   7.35628306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Ni2Sn
_chemical_formula_sum   'Tb4 Ni4 Sn2'
_cell_volume   197.35621131
_cell_formula_units_Z   2
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  0.50000000  0.17597262  0.67597262  1.0
  Tb  Tb1  1  0.50000000  0.82402738  0.32402738  1.0
  Tb  Tb2  1  0.50000000  0.32402738  0.17597262  1.0
  Tb  Tb3  1  0.50000000  0.67597262  0.82402738  1.0
  Ni  Ni4  1  0.00000000  0.38154405  0.88154405  1.0
  Ni  Ni5  1  -0.00000000  0.61845595  0.11845595  1.0
  Ni  Ni6  1  0.00000000  0.11845595  0.38154405  1.0
  Ni  Ni7  1  -0.00000000  0.88154405  0.61845595  1.0
  Sn  Sn8  1  -0.00000000  0.50000000  0.50000000  1.0
  Sn  Sn9  1  0.00000000  0.00000000  -0.00000000  1.0

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