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In4SbTe3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-685941 · Space group: Cm (#8)

Basic Information

Formula
In4SbTe3
MP-ID
mp-685941
Elements
3
Sites
8
Density
6.5745
g/cm³
Volume
243.44
ų
Cell a
8.8381
Å
Cell b
11.7128
Å
Cell c
7.6384
Å
α Angle
29.26
°
β Angle
54.69
°
γ Angle
40.72
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
28.43 3.1399 100.0 (2,3,1)
28.64 3.1167 98.1 (0,2,2)
28.71 3.1094 97.5 (2,1,1)
40.79 2.2124 37.4 (2,1,-1)
40.80 2.2116 37.4 (2,5,3)
40.84 2.2094 37.3 (4,4,2)
40.84 2.2094 37.2 (0,2,0)
40.99 2.2020 36.9 (2,-1,-1)
41.01 2.2006 36.8 (2,3,3)
50.63 1.8031 19.7 (4,2,0)
50.64 1.8026 19.6 (0,4,2)
50.65 1.8023 19.7 (0,0,2)
50.66 1.8019 19.7 (4,6,4)
58.82 1.5700 12.4 (4,6,2)
59.30 1.5584 12.1 (0,4,4)
59.45 1.5547 12.0 (4,2,2)
66.70 1.4023 8.4 (4,4,0)
66.72 1.4019 8.4 (4,8,4)
66.75 1.4015 8.4 (6,7,3)
66.75 1.4015 8.4 (2,5,1)
67.04 1.3961 8.3 (2,-1,-3)
67.06 1.3957 8.3 (2,7,5)
67.18 1.3935 8.2 (2,-3,-3)
67.19 1.3933 8.3 (6,5,3)
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Energy Properties

Formation Energy/atom
-0.37726
eV/atom
Energy/atom
-3.45171
eV/atom
Energy above Hull
0.0462
eV/atom
Uncorrected Energy
-3.2935
eV/atom
Volume/atom
30.43
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0015
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9743
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1005
J/mol·K
Ω Parameter
1.3121
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.412%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1545
smaller = more stable mixing
VEC
3.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.697
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8869
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.440
Family
In-rich Multi-Component
Matrix Element
In · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-685941
Reference Citation

The crystal structure and related material properties of In4SbTe3 were obtained from the Materials Project database (MP-ID: mp-685941, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_In4SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83811745
_cell_length_b   11.71277103
_cell_length_c   7.63835360
_cell_angle_alpha   29.26368435
_cell_angle_beta   54.69270184
_cell_angle_gamma   40.72265341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In4SbTe3
_chemical_formula_sum   'In4 Sb1 Te3'
_cell_volume   243.43614596
_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
  In  In0  1  0.99943300  0.00142900  0.00298700  1.0
  In  In1  1  0.50197400  0.99175100  0.01112500  1.0
  In  In2  1  0.25395000  0.49735800  0.00046300  1.0
  In  In3  1  0.74238000  0.50877400  0.99721100  1.0
  Sb  Sb4  1  0.50065900  0.49649200  0.50553900  1.0
  Te  Te5  1  0.24683900  0.00591400  0.49284600  1.0
  Te  Te6  1  0.74686100  0.00452500  0.49889900  1.0
  Te  Te7  1  0.00186500  0.50147500  0.49970400  1.0
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