Tb9Lu(AlTe)4

High-Entropy Materials HEA

MP-ID: mp-3296965 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Tb9Lu(AlTe)4

MP-ID

mp-3296965

Elements

Sites

Density

7.5439

g/cm³

Volume

489.45

Å³

Cell a

8.7133

Cell b

8.7133

Cell c

7.9432

α Angle

89.96

β Angle

89.96

γ Angle

125.74

Space Group

C2/m

Point Group

2/m

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
16.78	5.2851	14.9	(1,0,1)
16.80	5.2787	14.5	(1,0,-1)
22.38	3.9730	2.7	(1,1,0)
22.39	3.9716	2.9	(0,0,2)
22.94	3.8774	30.8	(2,-2,0)
23.38	3.8053	2.6	(2,-1,1)
23.39	3.8029	2.3	(2,-1,-1)
25.05	3.5553	51.2	(1,1,1)
25.07	3.5514	48.3	(1,1,-1)
25.71	3.4647	38.5	(1,0,2)
25.74	3.4611	42.8	(1,0,-2)
27.60	3.2318	1.4	(2,0,1)
27.63	3.2289	2.5	(2,0,-1)
30.52	2.9290	53.3	(2,-1,2)
30.54	2.9268	51.4	(2,-1,-2)
31.84	2.8108	50.1	(1,1,2)
31.88	2.8069	50.0	(1,1,-2)
32.26	2.7749	100.0	(3,-1,0)
32.27	2.7744	99.3	(2,-2,2)
32.98	2.7159	58.5	(3,-2,1)
32.99	2.7150	30.2	(3,-2,-1)
32.99	2.7150	30.2	(2,-3,1)
34.22	2.6204	60.6	(3,-1,1)
34.24	2.6189	61.1	(3,-1,-1)

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Energy Properties

Formation Energy/atom

-0.95783

eV/atom

Energy/atom

-25.83089

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.8309

eV/atom

Volume/atom

27.19

Å³

c/a Ratio

0.9116

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9103

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.007990

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1756

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7742

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

0.4032

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8480

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpej

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296965

Reference Citation

The crystal structure and related material properties of Tb9Lu(AlTe)4 were obtained from the Materials Project database (MP-ID: mp-3296965, 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_Tb9Lu(AlTe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71325818
_cell_length_b   8.71325791
_cell_length_c   7.94317209
_cell_angle_alpha   89.96442864
_cell_angle_beta   89.96442926
_cell_angle_gamma   125.74454953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb9Lu(AlTe)4
_chemical_formula_sum   'Tb9 Lu1 Al4 Te4'
_cell_volume   489.45478126
_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  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb1  1  0.79833690  0.53911729  0.16853190  1.0
  Tb  Tb2  1  0.46088271  0.20166310  0.83146810  1.0
  Tb  Tb3  1  0.96125872  0.70073688  0.66829486  1.0
  Tb  Tb4  1  0.29926312  0.03874128  0.33170514  1.0
  Tb  Tb5  1  0.20166310  0.46088271  0.83146810  1.0
  Tb  Tb6  1  0.53911729  0.79833690  0.16853190  1.0
  Tb  Tb7  1  0.03874128  0.29926312  0.33170514  1.0
  Tb  Tb8  1  0.70073688  0.96125872  0.66829486  1.0
  Lu  Lu9  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al10  1  0.87581131  0.87581131  0.38092522  1.0
  Al  Al11  1  0.12418869  0.12418869  0.61907478  1.0
  Al  Al12  1  0.62082962  0.62082962  0.87719314  1.0
  Al  Al13  1  0.37917038  0.37917038  0.12280686  1.0
  Te  Te14  1  0.20506076  0.79493924  0.00000000  1.0
  Te  Te15  1  0.70287114  0.29712886  0.50000000  1.0
  Te  Te16  1  0.79493924  0.20506076  0.00000000  1.0
  Te  Te17  1  0.29712886  0.70287114  0.50000000  1.0

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