La10Bi9Te

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292223 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

La10Bi9Te

MP-ID

mp-3292223

Elements

Sites

Density

7.6888

g/cm³

Volume

733.75

Å³

Cell a

8.1440

Cell b

9.3975

Cell c

10.5030

α Angle

102.92

β Angle

97.42

γ Angle

106.79

Space Group

P-1

Point Group

-1

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
23.17	3.8386	4.5	(2,0,-1)
23.18	3.8367	4.5	(1,-2,-1)
23.19	3.8364	4.5	(1,0,2)
23.19	3.8357	4.5	(0,2,-2)
26.82	3.3240	100.0	(2,-2,1)
26.83	3.3227	99.9	(1,2,0)
26.84	3.3218	99.8	(1,0,-3)
38.29	2.3506	39.5	(3,0,1)
38.30	2.3504	39.5	(3,-2,-2)
38.31	2.3495	39.5	(2,2,-3)
38.31	2.3494	39.5	(1,-4,1)
38.32	2.3489	39.4	(0,2,3)
38.32	2.3489	39.4	(1,-2,4)
47.36	1.9193	21.7	(4,0,-2)
47.39	1.9183	21.7	(2,-4,-2)
47.39	1.9182	21.7	(2,0,4)
47.40	1.9179	21.7	(0,4,-4)
55.27	1.6620	13.8	(4,-4,2)
55.29	1.6614	13.8	(2,4,0)
55.31	1.6609	13.8	(2,0,-6)
62.47	1.4867	9.6	(5,-2,2)
62.47	1.4867	9.6	(5,-4,-1)
62.48	1.4864	9.6	(4,2,1)
62.50	1.4861	9.6	(3,-6,2)

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Energy Properties

Formation Energy/atom

-1.36588

eV/atom

Energy/atom

-43.83515

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.8352

eV/atom

Volume/atom

36.69

Å³

c/a Ratio

1.2897

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

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 · 0.500

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

0.8557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1142

J/mol·K

Ω Parameter

0.2114

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.754%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4643

smaller = more stable mixing

VEC

3.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-29.531

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7789

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.562

Family

La-rich Multi-Component

Matrix Element

La · 0.500

Related Tasks

Related computation task IDs (1)

aaahfidz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292223

Reference Citation

The crystal structure and related material properties of La10Bi9Te were obtained from the Materials Project database (MP-ID: mp-3292223, 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_La10Bi9Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14401231
_cell_length_b   9.39746352
_cell_length_c   10.50303662
_cell_angle_alpha   102.91581606
_cell_angle_beta   97.41749406
_cell_angle_gamma   106.79196323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La10Bi9Te
_chemical_formula_sum   'La10 Bi9 Te1'
_cell_volume   733.75070370
_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  0.90032811  0.54996095  0.80019420  1.0
  La  La1  1  0.69785055  0.15111255  0.39947577  1.0
  La  La2  1  0.50007878  0.74997435  0.00005795  1.0
  La  La3  1  0.69799376  0.64736792  0.39920946  1.0
  La  La4  1  0.30200624  0.35263208  0.60079054  1.0
  La  La5  1  0.10040954  0.94925425  0.19756197  1.0
  La  La6  1  0.49992122  0.25002565  0.99994205  1.0
  La  La7  1  0.30214945  0.84888745  0.60052423  1.0
  La  La8  1  0.09967189  0.45003905  0.19980580  1.0
  La  La9  1  0.89959046  0.05074575  0.80243803  1.0
  Bi  Bi10  1  0.80009286  0.60096975  0.10116145  1.0
  Bi  Bi11  1  0.59950426  0.19913445  0.69939627  1.0
  Bi  Bi12  1  0.40049574  0.80086555  0.30060373  1.0
  Bi  Bi13  1  0.80056597  0.09970264  0.10094607  1.0
  Bi  Bi14  1  0.19990714  0.39903025  0.89883855  1.0
  Bi  Bi15  1  0.60097016  0.70071264  0.69943936  1.0
  Bi  Bi16  1  0.39902984  0.29928736  0.30056064  1.0
  Bi  Bi17  1  0.19943403  0.90029736  0.89905393  1.0
  Bi  Bi18  1  0.00000000  0.50000000  0.50000000  1.0
  Te  Te19  1  0.00000000  0.00000000  0.50000000  1.0

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