La7Tb3(InSb)4

High-Entropy Materials HEA

MP-ID: mp-3294071 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La7Tb3(InSb)4

MP-ID

mp-3294071

Elements

Sites

Density

6.8525

g/cm³

Volume

580.47

Å³

Cell a

9.2846

Cell b

8.9705

Cell c

8.4906

α Angle

90.15

β Angle

90.25

γ Angle

124.83

Space Group

Point Group

Crystal System

Triclinic

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
10.42	8.4903	1.1	(0,0,1)
10.95	8.0830	25.4	(1,-1,0)
15.57	5.6919	4.5	(1,0,-1)
15.68	5.6514	1.9	(1,0,1)
20.93	4.2452	6.6	(0,0,2)
21.03	4.2253	4.5	(1,1,0)
21.99	4.0415	1.9	(2,-2,0)
22.49	3.9537	1.6	(1,-2,1)
22.55	3.9426	1.3	(1,-2,-1)
23.45	3.7943	23.6	(1,1,-1)
23.59	3.7714	21.8	(1,1,1)
23.92	3.7200	3.8	(1,0,-2)
24.07	3.6974	3.8	(1,0,2)
24.13	3.6878	4.7	(0,1,-2)
24.17	3.6818	1.4	(0,2,0)
24.27	3.6678	5.8	(0,1,2)
25.55	3.4859	8.9	(2,0,-1)
25.69	3.4673	9.3	(2,0,1)
26.32	3.3856	29.5	(0,2,-1)
26.45	3.3701	31.0	(0,2,1)
28.45	3.1372	61.2	(2,-1,-2)
28.59	3.1223	59.7	(2,-1,2)
28.99	3.0801	85.2	(1,-2,2)
29.09	3.0696	92.0	(1,-2,-2)

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Energy Properties

Formation Energy/atom

-1.01182

eV/atom

Energy/atom

-28.51362

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.5136

eV/atom

Volume/atom

32.25

Å³

c/a Ratio

0.9145

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003450

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.389

Element Family

Lanthanide

Solute Fraction

0.611

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3344

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0942

J/mol·K

Ω Parameter

0.4533

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.024%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4149

smaller = more stable mixing

VEC

4.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-25.254

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9626

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkxb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294071

Reference Citation

The crystal structure and related material properties of La7Tb3(InSb)4 were obtained from the Materials Project database (MP-ID: mp-3294071, 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_La7Tb3(InSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28455724
_cell_length_b   8.97044549
_cell_length_c   8.49059292
_cell_angle_alpha   90.15235054
_cell_angle_beta   90.25062147
_cell_angle_gamma   124.82649745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7Tb3(InSb)4
_chemical_formula_sum   'La7 Tb3 In4 Sb4'
_cell_volume   580.47419943
_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
  La  La0  1  0.04165659  0.32296767  0.32798861  1.0
  La  La1  1  0.95619691  0.67227808  0.67167216  1.0
  La  La2  1  0.45878388  0.17343516  0.82534721  1.0
  La  La3  1  0.80099746  0.52568824  0.16485921  1.0
  La  La4  1  0.54364396  0.82899471  0.17471443  1.0
  La  La5  1  0.20435994  0.47897614  0.83554213  1.0
  La  La6  1  0.70304138  0.97338285  0.66376514  1.0
  Tb  Tb7  1  0.28931574  0.02492937  0.33999574  1.0
  Tb  Tb8  1  0.00403769  0.00178497  0.00161173  1.0
  Tb  Tb9  1  0.49688976  0.49754412  0.49711209  1.0
  In  In10  1  0.37306092  0.37253348  0.12823340  1.0
  In  In11  1  0.62624222  0.62312678  0.87456389  1.0
  In  In12  1  0.12916886  0.12458657  0.62485144  1.0
  In  In13  1  0.87670797  0.87479913  0.37369249  1.0
  Sb  Sb14  1  0.81327933  0.20784715  0.98756853  1.0
  Sb  Sb15  1  0.19597316  0.80030393  0.01843744  1.0
  Sb  Sb16  1  0.68007899  0.28308036  0.48237347  1.0
  Sb  Sb17  1  0.30656524  0.71374129  0.50767288  1.0

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