LaSbTe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1018747 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

LaSbTe

MP-ID

mp-1018747

Elements

Sites

Density

6.8077

g/cm³

Volume

189.41

Å³

Cell a

4.4099

Cell b

4.4099

Cell c

9.7400

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

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
22.13	4.0173	8.4	(1,0,1)
27.28	3.2688	14.5	(1,0,2)
27.47	3.2467	46.8	(0,0,3)
28.63	3.1183	20.8	(1,1,0)
30.09	2.9698	100.0	(1,1,1)
34.14	2.6261	86.0	(1,1,2)
34.30	2.6145	53.9	(1,0,3)
36.91	2.4350	2.8	(0,0,4)
40.09	2.2490	1.3	(1,1,3)
40.93	2.2049	58.9	(2,0,0)
42.40	2.1316	4.7	(1,0,4)
46.63	1.9480	1.3	(0,0,5)
47.01	1.9329	2.3	(2,1,1)
47.37	1.9192	10.2	(1,1,4)
49.89	1.8280	5.4	(2,1,2)
50.00	1.8241	35.5	(2,0,3)
51.27	1.7819	13.9	(1,0,5)
54.44	1.6856	28.6	(2,1,3)
55.63	1.6521	6.8	(1,1,5)
56.29	1.6344	3.3	(2,0,4)
59.27	1.5591	19.6	(2,2,0)
60.40	1.5326	3.3	(2,1,4)
60.80	1.5234	14.6	(1,0,6)
63.75	1.4599	2.0	(2,0,5)

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Energy Properties

Formation Energy/atom

-1.42197

eV/atom

Energy/atom

-5.49141

eV/atom

Energy above Hull

0.0127

eV/atom

Uncorrected Energy

-28.4281

eV/atom

Volume/atom

31.57

Å³

c/a Ratio

2.2087

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

La · 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

0.4843

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.520%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4601

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.726

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.381

Family

La-rich Multi-Component

Matrix Element

La · 0.333

Related Tasks

Related computation task IDs (5)

aaacizxm aaadreol aaaeluqb aaaeuqek aaafiidi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018747

Reference Citation

The crystal structure and related material properties of LaSbTe were obtained from the Materials Project database (MP-ID: mp-1018747, 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_LaSbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40986852
_cell_length_b   4.40986852
_cell_length_c   9.73997718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbTe
_chemical_formula_sum   'La2 Sb2 Te2'
_cell_volume   189.41275536
_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
  La  La0  1  0.75000000  0.75000000  0.72232082  1.0
  La  La1  1  0.25000000  0.25000000  0.27767918  1.0
  Sb  Sb2  1  0.75000000  0.25000000  -0.00000000  1.0
  Sb  Sb3  1  0.25000000  0.75000000  -0.00000000  1.0
  Te  Te4  1  0.75000000  0.75000000  0.37253338  1.0
  Te  Te5  1  0.25000000  0.25000000  0.62746662  1.0

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