Sc10Bi9Te

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296442 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Sc10Bi9Te

MP-ID

mp-3296442

Elements

Sites

Density

7.5212

g/cm³

Volume

542.68

Å³

Cell a

7.3645

Cell b

8.5000

Cell c

9.4944

α Angle

102.90

β Angle

97.45

γ Angle

106.74

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
9.77	9.0529	1.2	(0,0,1)
25.66	3.4722	55.7	(2,0,-1)
25.67	3.4701	55.6	(1,-2,-1)
25.68	3.4686	55.5	(0,2,-2)
25.68	3.4684	55.5	(1,0,2)
29.71	3.0070	100.0	(1,2,0)
29.73	3.0046	99.8	(2,-2,1)
29.75	3.0033	99.7	(1,0,-3)
42.53	2.1258	38.0	(3,0,1)
42.53	2.1255	37.9	(2,2,-3)
42.54	2.1253	37.9	(3,-2,-2)
42.54	2.1250	37.9	(1,-4,1)
42.55	2.1244	37.9	(0,2,3)
42.59	2.1229	37.8	(1,-2,4)
50.31	1.8136	9.9	(3,2,-1)
50.33	1.8128	9.9	(1,4,-2)
50.34	1.8127	9.8	(2,2,2)
50.34	1.8127	9.8	(0,4,1)
50.34	1.8127	9.8	(4,-2,0)
50.35	1.8122	9.8	(3,0,-4)
50.35	1.8122	9.8	(3,-4,0)
50.37	1.8116	9.8	(2,-2,-4)
50.38	1.8114	9.8	(3,-2,3)
50.38	1.8112	9.8	(2,-4,3)

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Energy Properties

Formation Energy/atom

-0.86594

eV/atom

Energy/atom

-34.16206

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.1621

eV/atom

Volume/atom

27.13

Å³

c/a Ratio

1.2892

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

Sc · 0.500

Element Family

3d-TM

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

0.3784

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.932%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3344

smaller = more stable mixing

VEC

3.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.342

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

Sc-rich Multi-Component

Matrix Element

Sc · 0.500

Related Tasks

Related computation task IDs (1)

aaahfokg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296442

Reference Citation

The crystal structure and related material properties of Sc10Bi9Te were obtained from the Materials Project database (MP-ID: mp-3296442, 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_Sc10Bi9Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36444530
_cell_length_b   8.50000263
_cell_length_c   9.49440643
_cell_angle_alpha   102.89768729
_cell_angle_beta   97.44906193
_cell_angle_gamma   106.73922849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc10Bi9Te
_chemical_formula_sum   'Sc10 Bi9 Te1'
_cell_volume   542.68016476
_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
  Sc  Sc0  1  0.90045825  0.54992104  0.79995097  1.0
  Sc  Sc1  1  0.69810996  0.15081072  0.39964896  1.0
  Sc  Sc2  1  0.50022211  0.75025971  0.00008764  1.0
  Sc  Sc3  1  0.69876016  0.64821209  0.39955703  1.0
  Sc  Sc4  1  0.30123984  0.35178791  0.60044297  1.0
  Sc  Sc5  1  0.10040560  0.94939710  0.19832804  1.0
  Sc  Sc6  1  0.49977789  0.24974029  0.99991236  1.0
  Sc  Sc7  1  0.30189004  0.84918928  0.60035104  1.0
  Sc  Sc8  1  0.09954175  0.45007896  0.20004903  1.0
  Sc  Sc9  1  0.89959440  0.05060290  0.80167196  1.0
  Bi  Bi10  1  0.79985686  0.60054361  0.10065582  1.0
  Bi  Bi11  1  0.59971506  0.19960859  0.69971652  1.0
  Bi  Bi12  1  0.40028494  0.80039141  0.30028348  1.0
  Bi  Bi13  1  0.80043368  0.09981821  0.10060869  1.0
  Bi  Bi14  1  0.20014314  0.39945639  0.89934418  1.0
  Bi  Bi15  1  0.60056550  0.70034051  0.69965808  1.0
  Bi  Bi16  1  0.39943450  0.29965949  0.30034192  1.0
  Bi  Bi17  1  0.19956632  0.90018179  0.89939131  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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