Tb5(AlTe)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292284 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Tb5(AlTe)2

MP-ID

mp-3292284

Elements

Sites

Density

7.4186

g/cm³

Volume

494.13

Å³

Cell a

8.7325

Cell b

8.7325

Cell c

7.9585

α Angle

90.00

β Angle

90.00

γ Angle

125.49

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

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
11.40	7.7631	1.9	(1,-1,0)
16.72	5.3023	24.9	(1,0,1)
22.23	3.9990	2.2	(1,1,0)
22.34	3.9793	2.5	(0,0,2)
22.91	3.8815	31.4	(2,-2,0)
23.33	3.8137	4.0	(2,-1,1)
24.92	3.5732	100.0	(1,1,1)
25.65	3.4724	81.4	(1,0,2)
27.48	3.2459	4.0	(2,0,1)
30.46	2.9346	52.8	(2,-1,2)
30.46	2.9346	52.8	(1,-2,2)
31.72	2.8207	98.4	(1,1,2)
32.14	2.7853	99.9	(3,-1,0)
32.22	2.7786	97.9	(2,-2,2)
32.93	2.7204	57.0	(3,-2,1)
32.93	2.7204	57.0	(2,-3,1)
33.81	2.6511	1.9	(2,0,2)
34.11	2.6289	60.8	(3,-1,1)
34.11	2.6289	60.8	(1,-3,1)
34.67	2.5877	15.8	(3,-3,0)
36.00	2.4951	90.6	(2,1,1)
36.14	2.4855	88.6	(1,0,3)
38.46	2.3409	34.1	(3,-2,2)
39.49	2.2818	1.3	(3,-1,2)

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Energy Properties

Formation Energy/atom

-0.95705

eV/atom

Energy/atom

-25.44937

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.4494

eV/atom

Volume/atom

27.45

Å³

c/a Ratio

0.9114

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0778

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010280

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2727

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.415%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4092

smaller = more stable mixing

VEC

6.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.503

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.556

Related Tasks

Related computation task IDs (1)

aaahfigi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292284

Reference Citation

The crystal structure and related material properties of Tb5(AlTe)2 were obtained from the Materials Project database (MP-ID: mp-3292284, 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_Tb5(AlTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73252228
_cell_length_b   8.73252133
_cell_length_c   7.95851595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.49146167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5(AlTe)2
_chemical_formula_sum   'Tb10 Al4 Te4'
_cell_volume   494.13274889
_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  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb1  1  0.50000000  0.50000000  0.50000000  1.0
  Tb  Tb2  1  0.79929822  0.53896289  0.16838200  1.0
  Tb  Tb3  1  0.46103711  0.20070178  0.83161800  1.0
  Tb  Tb4  1  0.96103711  0.70070178  0.66838200  1.0
  Tb  Tb5  1  0.29929822  0.03896289  0.33161800  1.0
  Tb  Tb6  1  0.20070178  0.46103711  0.83161800  1.0
  Tb  Tb7  1  0.53896289  0.79929822  0.16838200  1.0
  Tb  Tb8  1  0.03896289  0.29929822  0.33161800  1.0
  Tb  Tb9  1  0.70070178  0.96103711  0.66838200  1.0
  Al  Al10  1  0.87853229  0.87853229  0.37999756  1.0
  Al  Al11  1  0.12146771  0.12146771  0.62000244  1.0
  Al  Al12  1  0.62146771  0.62146771  0.87999756  1.0
  Al  Al13  1  0.37853229  0.37853229  0.12000244  1.0
  Te  Te14  1  0.20462500  0.79537500  0.00000000  1.0
  Te  Te15  1  0.70462500  0.29537500  0.50000000  1.0
  Te  Te16  1  0.79537500  0.20462500  0.00000000  1.0
  Te  Te17  1  0.29537500  0.70462500  0.50000000  1.0

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